This is a list of strcutures in NMRShiftDB, starting at 500, Its main purpose is to be found by search engines

Benzoic acid 1-{8,14,15-trihydroxy-3-[3-hydroxy-4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-2-yloxy]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl}-ethyl ester (3beta,5alpha,14beta,15beta,20R)-3-[(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyl)oxy]-8,14,15-trihydroxypregnan-20-yl rel-benzoate beta-D-galactopyranoside, (3beta,5alpha,14beta,15beta,20R)-20-(benzoyloxy)-8,14,15-trihydroxypregnan-3-yl 6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl- InChI=1/C41H62O15/c1-20(52-35(48)22-9-7-6-8-10-22)25-18-28(43)41(50)39(25,4)15-13-27-38(3)14-12-24(17-23(38)11-16-40(27,41)49)54-37-32(47)34(51-5)33(21(2)53-37)56-36-31(46)30(45)29(44)26(19-42)55-36/h6-10,20-21,23-34,36-37,42-47,49-50H,11-19H2,1-5H3/t20- YUBUMONLXJORTF-GPBGMPHCBQ 20-O-Benzoyl-(20S)-pregnane-3β,8β,14β,15β,20-pentaol 3-O-β-D-glucopyranosyl (1→4) β-D-digitalopyranoside Penicilloside A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenyl rel-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-glucopyranuronosyl}-beta-D-glucopyranosiduronic acid 4H-1-benzopyran-4-one, 5,7-dihydroxy-2-[4-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-L-glucopyranuronosyl]-beta-L-glucopyranuronosyl]oxy]phenyl]- InChI=1/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-6-4-15(5-7-17)21-13-20(41)25-19(40)11-16(38)12-23(25)53-21/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t LNCLTICCQWMCNS-AWQIJAMDBX 4'-O-[2'-O-E-Feruloyl-O-β-D-glucuronopyranosyl(1→2)-O-β-D-glucuronopyranoside]apigenin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(1,5-Dimethyl-hexa-1,4-dienyl)-8-methyl-6-oxo-1,4,5,6,7,7a-hexahydro-4,7-methano-indene-3a-carbaldehyde rel-(1R,3aS,4S,7R,7aS,8R)-1-[(1Z)-1,5-dimethylhexa-1,4-dien-1-yl]-8-methyl-6-oxo-1,4,5,6,7,7a-hexahydro-3aH-4,7-methanoindene-3a-carbaldehyde 4,7-methano-3aH-indene-3a-carboxaldehyde, 1-[(1Z)-1,5-dimethyl-1,4-hexadienyl]-1,4,5,6,7,7a-hexahydro-8-methyl-6-oxo-, (1R,3aS,4S,7R,7aS,8R)- InChI=1/C20H26O2/c1-12(2)6-5-7-13(3)15-8-9-20(11-21)16-10-17(22)18(14(16)4)19(15)20/h6-9,11,14-16,18-19H,5,10H2,1-4H3/b13-7-/t14-,15+,16+,18+,19+,20+/m1/s1 UQEZUQNIKSIGBN-BPBWWBTBBC Dictyterpenoid A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Hydroxy-3-methoxy-benzoic acid 3,4,5-trihydroxy-6-[7-hydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-3-hydroxymethyl-6,8-dimethoxy-1,2,3,4-tetrahydro-naphthalen-2-ylmethoxy]-tetrahydro-pyran-2-ylmethyl ester [(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methyl rel-6-O-(4-hydroxy-3-methoxybenzoyl)-beta-L-glucopyranoside beta-D-glucopyranoside, [(1S,2R,3R)-1,2,3,4-tetrahydro-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-2-naphthalenyl]methyl, 6-(4-hydroxy-3-methoxybenzoate) InChI=1/C36H44O16/c1-45-22-9-16(6-7-21(22)38)35(44)50-15-26-30(40)32(42)33(43)36(52-26)51-14-20-19(13-37)8-17-10-25(48-4)31(41)34(49-5)28(17)27(20)18-11-23(46-2)29(39)24(12-18)47-3/h6-7,9-12,19-20,26-27,30,32-33,36-43H,8,13-15H2,1-5H3/t19-,20-,26+,27+,30 LVQMXTVSQMYOHE-XCPCKSIHBH (+)-Lyoniresinol 3a-[6-(4-hydroxy-3-methoxy)-benzoyl]-O-β-glucopyranoside Fernandoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(3,4-Dihydroxy-phenyl)-acrylic acid 5-(3,4-dihydroxy-4-hydroxymethyl-tetrahydro-furan-2-yloxy)-6-[2-(3,4-dihydroxy-phenyl)-ethoxy]-2-hydroxymethyl-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-tetrahydro-pyran-3-yl ester 2-(3,4-dihydroxyphenyl)ethyl rel-3-O-(6-deoxy-beta-D-mannopyranosyl)-2-O-[(2R,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-L-glucopyr beta-D-glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-beta-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)- InChI=1/C34H44O19/c1-15-24(42)25(43)26(44)31(49-15)52-28-27(51-23(41)7-4-16-2-5-18(37)20(39)10-16)22(12-35)50-32(47-9-8-17-3-6-19(38)21(40)11-17)29(28)53-33-30(45)34(46,13-36)14-48-33/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24- UXPCJXXUGGXVGI-XQDSISHHBX 2''-O-β-Apiosylverbascoside 3,4-Dihydroxy-β-phenylethoxy-O-β-apiofuranosyl-(1→2)-α-rhamnopyranosyl-(1→3)-4-O-caffeoyl-β-glucopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

[(2R,3S,4S,5R)-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-4'-oxo-4,5-dihydro-3H,4'H,9'H-spiro[furan-2,8'-furo[2,3-h]chromen]-5-yl]methyl rel-acetate spiro[furan-2(3H),8'(9'H)-[4H]furo[2,3-h][1]benzopyran]-4'-one, 5-[(acetyloxy)methyl]-4,5-dihydro-3,4,5'-trihydroxy-2'-(4-hydroxyphenyl)-, (2R,3S,4S,5R)- InChI=1/C23H20O10/c1-10(24)30-9-18-20(28)22(29)23(33-18)8-13-17(32-23)7-15(27)19-14(26)6-16(31-21(13)19)11-2-4-12(25)5-3-11/h2-7,18,20,22,25,27-29H,8-9H2,1H3/t18-,20-,22+,23+/m1/s1 JPQIZNMBTLLOPM-SQMBMXPBBL Pinnatifinoside B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-[6-(3,4-Dihydroxy-4-hydroxymethyl-tetrahydro-furan-2-yloxymethyl)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy]-5-hydroxy-3-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl rel-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside 4H-1-benzopyran-4-one, 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-7-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]- InChI=1/C27H30O15/c1-37-23-15(6-14-17(20(23)32)18(30)13(7-38-14)11-2-4-12(29)5-3-11)41-25-22(34)21(33)19(31)16(42-25)8-39-26-24(35)27(36,9-28)10-40-26/h2-7,16,19,21-22,24-26,28-29,31-36H,8-10H2,1H3/t16-,19-,21+,22-,24+,25-,26-,27-/m1/s1 MPQNEAGCEIDBTL-OMEKLMHCBU Tectorigenin 7-O-[β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside] . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-Hydroxy-2,3-dimethyl-butyric acid 7-hydroxy-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester [(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl rel-(2S)-2-hydroxy-2,3-dimethylbutanoate butanoic acid, 2-hydroxy-2,3-dimethyl-, [(1R,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2S)- InChI=1/C14H23NO4/c1-9(2)14(3,18)13(17)19-8-10-4-6-15-7-5-11(16)12(10)15/h4,9,11-12,16,18H,5-8H2,1-3H3/t11-,12-,14+/m1/s1 TZHAMNIFJHFPNN-BZPMIXESBH O9-(2S-2-Hydroxy-2,3-dimethyl-butanoyl)-retronecine O9-(2S-2-Hydroxy-2,3-dimethylbutanoyl)retronecine Retrohoustine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(4-Hydroxy-phenyl)-N-[2-(5-methoxy-1H-indol-3-yl)-ethyl]-acrylamide (2E)-3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acrylamide 2-propenamide, 3-(4-hydroxyphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-, (2E)- InChI=1/C20H20N2O3/c1-25-17-7-8-19-18(12-17)15(13-22-19)10-11-21-20(24)9-4-14-2-5-16(23)6-3-14/h2-9,12-13,22-23H,10-11H2,1H3,(H,21,24)/b9-4+ DAYQHEUNAQSDHV-RUDMXATFBZ (E)-N-(4-hydroxycinnamoyl)-5-methoxytryptamine Centcyamine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-(3-Hydroxy-3,7-dimethyl-octa-4,6-dienyloxy)-chromen-2-one 7-{[(4E)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}-2H-chromen-2-one 2H-1-benzopyran-2-one, 7-[[(4E)-3-hydroxy-3,7-dimethyl-4,6-octadienyl]oxy]- InChI=1/C19H22O4/c1-14(2)5-4-10-19(3,21)11-12-22-16-8-6-15-7-9-18(20)23-17(15)13-16/h4-10,13,21H,11-12H2,1-3H3/b10-4+ HMAHZBXKWRZTNG-ONNFQVAWBT 7-[(E)-3'-Hydroxy-3',7'-dimethyl-4',6'-octadienyloxy]coumarin Ferulagol A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(7-Hydroxy-3-methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diaza-cyclohepta[jk]fluoren-5-yl)-but-2-enal rel-(2E)-2-[(3aR,5S,7R)-7-hydroxy-3-methyl-1,2,3,3a,4,5,6,7-octahydro-3,7a-diazacyclohepta[1,2,3-jk]fluoren-5-yl]but-2-enal 3,7a-diazacyclohepta[jk]fluorene-5-acetaldehyde, alpha-ethylidene-1,2,3,3a,4,5,6,7-octahydro-7-hydroxy-3-methyl-, (alphaE,3aS,5R,7S)- InChI=1/C20H24N2O2/c1-3-13(12-23)14-10-18-20-16(8-9-21(18)2)15-6-4-5-7-17(15)22(20)19(24)11-14/h3-7,12,14,18-19,24H,8-11H2,1-2H3/b13-3-/t14-,18+,19+/m1/s1 LGSDYQBPJKYJCT-YTLNUPAMBD Akagerine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,2,3,3,4,4,5,5,5-Nonafluoro-pentanoic acid nonafluoropentanoic acid pentanoic acid, nonafluoro- InChI=1/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16) CXZGQIAOTKWCDB-UHFFFAOYAK Nonafluoro-valeric acid Perfluoropentanoic acid Perfluorovaleric acid . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Hydroxy-2,7-dimethyl-8-(3-methyl-but-2-enyl)-2-(4-methyl-penta-1,3-dienyl)-chroman-6-carboxylic acid 5-hydroxy-2,7-dimethyl-8-(3-methylbut-2-en-1-yl)-2-[(1E)-4-methylpenta-1,3-dien-1-yl]chromane-6-carboxylic acid 2H-1-benzopyran-6-carboxylic acid, 3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-[(1E)-4-methyl-1,3-pentadienyl]- InChI=1/C23H30O4/c1-14(2)8-7-12-23(6)13-11-18-20(24)19(22(25)26)16(5)17(21(18)27-23)10-9-15(3)4/h7-9,12,24H,10-11,13H2,1-6H3,(H,25,26)/b12-7+ LJFBYGPHKHZLQD-KPKJPENVBT (3,4-Dihydro-5-hydroxy-2,7-dimethyl-8-(2-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-carboxylic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-(2,2-Dimethyl-2H-chromen-6-yl)-4-hydroxy-2-(1-hydroxy-1-methyl-ethyl)-furo[3,2-g]chromen-5-one 6-(2,2-dimethyl-2H-chromen-6-yl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5H-furo[3,2-g]chromen-5-one 5H-furo[3,2-g][1]benzopyran-5-one, 6-(2,2-dimethyl-2H-1-benzopyran-6-yl)-4-hydroxy-2-(1-hydroxy-1-methylethyl)- InChI=1/C25H22O6/c1-24(2)8-7-14-9-13(5-6-17(14)31-24)16-12-29-19-11-18-15(22(26)21(19)23(16)27)10-20(30-18)25(3,4)28/h5-12,26,28H,1-4H3 ZCPMFYOKWFXSAI-UHFFFAOYAC Ulexin C . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17-(4,5-Dihydroxy-1,5-dimethyl-hexyl)-4,4,9,13,14-pentamethyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-tetradecahydro-20-oxa-cyclopropa[5,6]cyclopenta[a]phenanthren-11-one (4R,5R,6R,8beta,9beta,24S)-24,25-dihydroxy-9,10,14-trimethyl-11-oxo-5,6-epoxy-4,9-cyclo-9,10-secocholestan-1-yl rel-hexopyranoside 4,9-cyclo-9,10-secocholestan-11-one, 5,6-epoxy-1-(hexopyranosyloxy)-24,25-dihydroxy-9,10,14-trimethyl-, (4S,5S,6S,8beta,9beta,24R)- InChI=1/C36H60O10/c1-18(9-11-23(38)32(4,5)43)19-13-14-33(6)22-15-26-36(46-26)21(35(22,8)24(39)16-34(19,33)7)10-12-25(31(36,2)3)45-30-29(42)28(41)27(40)20(17-37)44-30/h18-23,25-30,37-38,40-43H,9-17H2,1-8H3/t18-,19-,20?,21+,22+,23-,25?,26+,27?,28?,29?,30?, BUMOXZUDDZSIRR-CAFXIOAWBW 5α,6α-Epoxycabenoside D Bryonioside D . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-Methyl-1-[1,3,7,9-tetrahydroxy-6-(2-hydroxy-3-methyl-but-3-enyl)-2-(3-methyl-but-2-enyl)-8-(2-methyl-butyryl)-dibenzofuran-4-yl]-butan-1-one 1,1'-[1,3,7,9-tetrahydroxy-4-(2-hydroxy-3-methylbut-3-en-1-yl)-8-(3-methylbut-2-en-1-yl)dibenzo[b,d]furan-2,6-diyl]bis(2-methylbutan-1-one) 1-butanone, 1,1'-[1,3,7,9-tetrahydroxy-4-(2-hydroxy-3-methyl-3-butenyl)-8-(3-methyl-2-butenyl)-2,6-dibenzofurandiyl]bis[2-methyl- InChI=1/C32H40O8/c1-9-16(7)25(34)23-29(38)19(13-20(33)15(5)6)31-22(30(23)39)21-27(36)18(12-11-14(3)4)28(37)24(32(21)40-31)26(35)17(8)10-2/h11,16-17,20,33,36-39H,5,9-10,12-13H2,1-4,6-8H3 WXPMFVVMYYHSEH-UHFFFAOYAE Achyrofuran . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,3-Bis-(4-hydroxy-3-methoxy-benzylidene)-N,N'-bis-[2-(4-hydroxy-phenyl)-ethyl]-succinamide (2Z,3Z)-2,3-bis(4-hydroxy-3-methoxybenzylidene)-N,N'-bis[2-(4-hydroxyphenyl)ethyl]succinamide butanediamide, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methylene]-N,N'-bis[2-(4-hydroxyphenyl)ethyl]-, (2Z,3Z)- InChI=1/C36H36N2O8/c1-45-33-21-25(7-13-31(33)41)19-29(35(43)37-17-15-23-3-9-27(39)10-4-23)30(20-26-8-14-32(42)34(22-26)46-2)36(44)38-18-16-24-5-11-28(40)12-6-24/h3-14,19-22,39-42H,15-18H2,1-2H3,(H,37,43)(H,38,44)/b29-19-,30-20- FGAVHWSCPSBSMG-NAZWXXJZBT Hyoscyamide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N-(2-Oxa-6-aza-tricyclo[4.2.1.0^(3,7)]non-8-yl)-acetamide rel-N-[(1R,6S)-hexahydro-1H-1,6-epoxypyrrolizin-7-yl]acetamide acetamide, N-[(2R,6aS)-hexahydro-2,4-methano-4H-furo[3,2-b]pyrrol-3-yl]- InChI=1/C9H14N2O2/c1-5(12)10-8-7-4-11-3-2-6(13-7)9(8)11/h6-9H,2-4H2,1H3,(H,10,12)/t6-,7+,8?,9?/m0/s1 BWGXNGORZPWYGZ-MZUZGICHBY N-((2R)-(3at,6at)-hexahydro-2r,4c-methano-furo[3,2-b]pyrrol-3c-yl)-acetamide N-Acetyl-norloline N-Acetylnorloline . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2aR,5aR,6R,7S,8aS,8bS)-6-[2-(3-furyl)ethyl]-6-hydroxy-2a,5a-dimethyloctahydro-2H,3H-spiro[naphtho[1,8-bc]furan-7,2'-oxiran]-2-one spiro[2H-naphtho[1,8-bc]furan-7(3H),2'-oxiran]-2-one, 6-[2-(3-furanyl)ethyl]octahydro-6-hydroxy-2a,5a-dimethyl-, (2aS,5aS,6S,7R,8aR,8bR)- InChI=1/C20H26O5/c1-17-6-3-7-18(2)15(17)14(25-16(17)21)10-19(12-24-19)20(18,22)8-4-13-5-9-23-11-13/h5,9,11,14-15,22H,3-4,6-8,10,12H2,1-2H3/t14-,15+,17+,18+,19-,20+/m1/s1 TYPXWADRUZBXSO-FHZWTMRJBW Epoxyleonotin Leonotinin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

10-(7-Acetoxy-3a,6,6,9a-tetramethyl-2-oxo-dodecahydro-cyclopenta[a]naphthalen-3-ylidene)-2,6-dimethyl-undeca-2,4,6,8-tetraenoic acid rel-(2E,4E,6E,8E,10E)-10-[(3aR,5aS,7R,9aS,9bR)-7-(acetyloxy)-3a,6,6,9a-tetramethyl-2-oxododecahydro-3H-cyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoic acid (non-preferred name 2-piperidinemethanol, 5-hydroxy- InChI=1/C32H44O5/c1-20(12-10-14-22(3)29(35)36)11-9-13-21(2)28-24(34)19-26-31(7)18-16-27(37-23(4)33)30(5,6)25(31)15-17-32(26,28)8/h9-14,25-27H,15-19H2,1-8H3,(H,35,36)/b12-10+,13-9+,20-11+,22-14+,28-21-/t25-,26-,27-,31-,32-/m0/s1 XTFWFHCPBVMHAV-MPVOXZDFBW (13E,15E,17E,22E,24E)-3β-acetoxy-12-oxo-isomalabarica-13,15,17,22,24-pentaen-26-oic acid Stellettin H . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Hydroxymethyl-piperidin-3-ol 6-(hydroxymethyl)piperidin-3-ol 2-piperidinemethanol, 5-hydroxy- InChI=1/C6H13NO2/c8-4-5-1-2-6(9)3-7-5/h5-9H,1-4H2 VLMAABJNFNPYCK-UHFFFAOYAV 1,3,4-Trideoxynojirimycin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(E)-2-[2-(4'-Methyl-[2,2']bipyridinyl-4-yl)-vinyl]-[1,4]benzoquinone 2-[(E)-2-(4'-methyl-2,2'-bipyridin-4-yl)vinyl]benzo-1,4-quinone 2,5-cyclohexadiene-1,4-dione, 2-[(E)-2-(4'-methyl[2,2'-bipyridin]-4-yl)ethenyl]- InChI=1/C19H14N2O2/c1-13-6-8-20-17(10-13)18-11-14(7-9-21-18)2-3-15-12-16(22)4-5-19(15)23/h2-12H,1H3/b3-2+ QBLJKVNTVDYHGF-NSCUHMNNBW (E)-2-[2-(4\'-Methyl-[2,2\']bipyridinyl-4-yl)-vinyl]-[1,4]benzoquinone . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-(1,3-Benzodioxol-5-yl)ethylene-1,1,2-tricarbonitrile 2-(1,3-benzodioxol-5-yl)ethylene-1,1,2-tricarbonitrile 1,1,2-ethenetricarbonitrile, 2-(1,3-benzodioxol-5-yl)- InChI=1/C12H5N3O2/c13-4-9(5-14)10(6-15)8-1-2-11-12(3-8)17-7-16-11/h1-3H,7H2 OPBOCXWCDCIQGI-UHFFFAOYAR 2-(1,3-Benzodioxol-5-yl)ethylene-1,1,2-tricarbonitrile . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(2Z)-3-(3,4-Dimethoxyphenyl)-2-(4-methylphenyl)acrylonitrile (2Z)-3-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)acrylonitrile benzeneacetonitrile, alpha-[(3,4-dimethoxyphenyl)methylene]-4-methyl-, (alphaZ)- InChI=1/C18H17NO2/c1-13-4-7-15(8-5-13)16(12-19)10-14-6-9-17(20-2)18(11-14)21-3/h4-11H,1-3H3/b16-10+ YHMJEUFPFLEKOX-MHWRWJLKBZ (2Z)-3-(3,4-Dimethoxyphenyl)-2-(4-methylphenyl)acrylonitrile . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

6-{5-[8-(3,5-Dihydroxy-phenyl)-4-hydroxy-7-(4-hydroxy-phenyl)-7,8-dihydro-benzo[1,2-b;4,3-b']difuran-2-yl]-2-hydroxy-phenyl}-1,7-bis-(4-hydroxy-phenyl)-1,6,7,11b-tetrahydro-2-oxa-dibenzo[cd,h]azulene-4,8,10-triol rel-(1R,6S,7R,11bR)-6-{5-[(7R,8R)-8-(3,5-dihydroxyphenyl)-4-hydroxy-7-(4-hydroxyphenyl)-7,8-dihydrofuro[3,2-e][1]benzofuran-2-yl]-2-hydroxyphenyl}-1,7-bis(4-hydroxyphenyl)-1,6,7,11b-tetrahydrobenzo[6, ursa-12,18-dien-28-oic acid, 3-(alpha-L-arabinopyranosyloxy)-, (3beta)- InChI=1/C56H40O13/c57-30-8-1-25(2-9-30)47-49(38-20-36(63)22-45-51(38)53(39-19-35(62)21-42(65)50(39)47)55(68-45)27-5-12-32(59)13-6-27)37-17-28(7-14-41(37)64)44-23-40-52-46(24-43(66)56(40)67-44)69-54(26-3-10-31(58)11-4-26)48(52)29-15-33(60)18-34(61)16-29/h KYCWATKXJOSHQR-KPXHRNBCBJ Amurensin K . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,2,6a,6b,9,9,12a-Heptamethyl-10-(3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13-hexadecahydro-2H-picene-4a-carboxylic acid (3beta)-3-(alpha-L-arabinopyranosyloxy)ursa-12,18-dien-28-oic acid ursa-12,18-dien-28-oic acid, 3-(alpha-L-arabinopyranosyloxy)-, (3beta)- InChI=1/C35H54O7/c1-19-10-15-35(30(39)40)17-16-33(6)21(26(35)20(19)2)8-9-24-32(5)13-12-25(31(3,4)23(32)11-14-34(24,33)7)42-29-28(38)27(37)22(36)18-41-29/h8,19,22-25,27-29,36-38H,9-18H2,1-7H3,(H,39,40)/t19-,22+,23+,24-,25+,27+,28-,29+,32+,33-,34-,35+/m1/s GCGPCEUHJCFZIV-GOLIOZFDBO 3β-[(α-L-Arabinopyranosyl)oxy]urs-12,18-dien-28-oic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2'-(4-Hydroxy-2-methoxy-phenyl)-4'-(4-hydroxy-phenyl)-7-methoxy-3,4-dihydro-2H-[3,6']bichromenyl-7'-one 2'-(4-hydroxy-2-methoxyphenyl)-4'-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H,7'H-3,6'-bichromen-7'-one 7H-1-benzopyran-7-one, 6-(3,4-dihydro-7-methoxy-2H-1-benzopyran-3-yl)-2-(4-hydroxy-2-methoxyphenyl)-4-(4-hydroxyphenyl)- InChI=1/C32H26O7/c1-36-23-9-5-19-11-20(17-38-29(19)13-23)26-14-27-25(18-3-6-21(33)7-4-18)15-31(39-32(27)16-28(26)35)24-10-8-22(34)12-30(24)37-2/h3-10,12-16,20,33-34H,11,17H2,1-2H3 QNABAPGIAOBSPN-UHFFFAOYAP Retusapurpurin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-Bromo-5,7-dihydroxy-2-(4-hydroxy-phenyl)-chroman-4-one 8-bromo-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one 4H-1-benzopyran-4-one, 8-bromo-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)- InChI=1/C15H11BrO5/c16-14-11(20)5-9(18)13-10(19)6-12(21-15(13)14)7-1-3-8(17)4-2-7/h1-5,12,17-18,20H,6H2 VJIHZXIEHKBDFP-UHFFFAOYAJ 8-Bromonaringenin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-[10,14,16-Trihydroxy-13-methyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-pyran-2-one (5beta,8xi,9xi,14beta,16beta,17beta)-10,14,16-trihydroxy-17-(2-oxo-2H-pyran-5-yl)estr-3-en-5-yl beta-D-glucopyranoside 2H-pyran-2-one, 5-[(5beta,8xi,9xi,14beta,16beta,17beta)-5-(beta-D-glucopyranosyloxy)-10,14,16-trihydroxyestr-3-en-17-yl]- InChI=1/C29H40O11/c1-26-10-6-16-17(29(26,37)12-18(31)21(26)15-4-5-20(32)38-14-15)7-11-27(8-2-3-9-28(16,27)36)40-25-24(35)23(34)22(33)19(13-30)39-25/h2,4-5,8,14,16-19,21-25,30-31,33-37H,3,6-7,9-13H2,1H3/t16?,17?,18-,19+,21-,22+,23-,24+,25-,26+,27+,28-,29- GBDZLDHZEXKSOQ-MCFAKINXBF 5-[β-D-glucopyranosyloxy]-10,14,16-trihydroxy-19-nor-{5β,10β,14β,16β}-bufa-3,20,22-trienolide Hellebortin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

9-(6-Hydroxy-2,7,8-trimethyl-2H-chromen-2-yl)-6-methyl-2-(4-methyl-pent-3-enyl)-nona-2,6-dienoic acid (2Z,6E)-9-(6-hydroxy-2,7,8-trimethyl-2H-chromen-2-yl)-6-methyl-2-(4-methylpent-3-en-1-yl)nona-2,6-dienoic acid 2,6-nonadienoic acid, 9-(6-hydroxy-2,7,8-trimethyl-2H-1-benzopyran-2-yl)-6-methyl-2-(4-methyl-3-pentenyl)-, (2Z,6E)- InChI=1/C28H38O4/c1-19(2)10-7-13-23(27(30)31)14-8-11-20(3)12-9-16-28(6)17-15-24-18-25(29)21(4)22(5)26(24)32-28/h10,12,14-15,17-18,29H,7-9,11,13,16H2,1-6H3,(H,30,31)/b20-12+,23-14- CEDDAIQBDLSHBB-HVZPBUQRBO 2,7,8-Trimethyl-2-[(3E,7Z)-4,12-dimethyl-8-carboxyl-3,7,11-tridecatrienyl]-3-chromen-6-ol 7-Methyl-sargachromenol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-[(2-Isopropyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol 5-[(2-isopropyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol 4H-1,2,4-triazole-3-thiol, 5-[[5-methyl-2-(1-methylethyl)phenoxy]methyl]-4-phenyl- InChI=1/C19H21N3OS/c1-13(2)16-10-9-14(3)11-17(16)23-12-18-20-21-19(24)22(18)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,21,24) OSCREBPMAMPWBO-UHFFFAOYAG 5-[(2-Isopropyl-5-methylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazole-3-thiol . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

Ethyl 3-Chloropyrazine-2-carboxylate ethyl 3-chloropyrazine-2-carboxylate 2-pyrazinecarboxylic acid, 3-chloro-, ethyl ester InChI=1/C7H7ClN2O2/c1-2-12-7(11)5-6(8)10-4-3-9-5/h3-4H,2H2,1H3 AZNJBCHPEMMGOL-UHFFFAOYAG Ethyl 3-Chloropyrazine-2-carboxylate . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3,4,5-Trimethyl-5-pentyl-5H-furan-2-one 3,4,5-trimethyl-5-pentylfuran-2(5H)-one 2(5H)-furanone, 3,4,5-trimethyl-5-pentyl-, (5S)- InChI=1/C12H20O2/c1-5-6-7-8-12(4)10(3)9(2)11(13)14-12/h5-8H2,1-4H3/t12-/m0/s1 ZQHNFAIHBGTIMX-LBPRGKRZBO (+)-3,4,5-Trimethyl-5-pentyl-5H-furan-2-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,2,6-Trimethyl-9-methylene-6-vinyl-bicyclo[3.3.1]nonane rel-(1R,2R,5S,6R)-1,2,6-trimethyl-9-methylene-6-vinylbicyclo[3.3.1]nonane bicyclo[3.3.1]nonane, 6-ethenyl-1,2,6-trimethyl-9-methylene-, (1S,2S,5R,6S)- InChI=1/C15H24/c1-6-14(4)9-10-15(5)11(2)7-8-13(14)12(15)3/h6,11,13H,1,3,7-10H2,2,4-5H3/t11-,13?,14+,15-/m0/s1 UYQNCGFXZZVAAK-OXUNJRBLBC (-)-3,7-Di-epi-trifara-9,14-diene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(3,14,15,16-Tetrahydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-ethanone (3beta,8xi,9xi,14beta,15alpha,16alpha,17xi)-3,14,15,16-tetrahydroxypregn-5-en-20-one pregn-5-en-20-one, 3,14,15,16-tetrahydroxy-, (3beta,8xi,9xi,14beta,15alpha,16alpha,17xi)- InChI=1/C21H32O5/c1-11(22)16-17(24)18(25)21(26)15-5-4-12-10-13(23)6-8-19(12,2)14(15)7-9-20(16,21)3/h4,13-18,23-26H,5-10H2,1-3H3/t13-,14?,15?,16?,17-,18-,19-,20+,21+/m0/s1 TYFLJOSYFLFOMY-PLYMQCKYBB 3β,14β,15α,16α-Hydroxy-20-oxo-Δ5-pregnene-tetraol 3β-14β,15α-16α Hydroxy-20-oxo-Δ5pregnene-tetra-ol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Hydroxy-benzoic acid 7-acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,7,8,8a-octahydro-azulen-4-yl ester (3R,4S,7S,8aR)-7-(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,7,8,8a-octahydroazulen-4-yl rel-4-hydroxybenzoate benzoic acid, 4-hydroxy-, (3R,4S,7S,8aR)-7-(acetyloxy)-1,2,3,3a,4,7,8,8a-octahydro-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-4-azulenyl ester InChI=1/C24H32O6/c1-14(2)24(28)11-10-23(5)13-20(29-16(4)25)15(3)12-19(21(23)24)30-22(27)17-6-8-18(26)9-7-17/h6-9,12,14,19-21,26,28H,10-11,13H2,1-5H3/t19-,20-,21?,23+,24+/m0/s1 XLXAJOASBOPLDJ-ZBLNOIILBG Lancerotriol 9-acetate-6-p-hydroxybenzoate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

10,25-dimethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2~3,6~.2~18,21~.1~8,12~.0~16,35~.0~27,31~]heptatriaconta-1(30),3,5,8(35),9,11,18,20,24,26,31,33,36-tridecaene-9,32-diol (non-preferred 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-3-[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]ethoxy]-3,5-dimethoxyphenyl]-2-propenyl ester, (2E) InChI=1/C36H36N2O6/c1-38-15-13-25-18-29(41-2)33(39)36-32(25)28(38)17-22-4-6-23(7-5-22)20-43-35-30(42-3)19-24-12-14-37-27(31(24)34(35)40)16-21-8-10-26(44-36)11-9-21/h4-11,18-19,28,39-40H,12-17,20H2,1-3H3/t28-/m1/s1 PNKSXBKHHQUCIY-MUUNZHRXBV Warifteine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(4-Hydroxy-phenyl)-acrylic acid 3-(4-{2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-[3-(4-hydroxy-phenyl)-acryloyloxymethyl]-ethoxy}-3,5-dimethoxy-phenyl)-allyl ester (2E)-3-{4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)ethoxy]-3,5-dimethoxyphenyl}prop-2-en-1-yl (2E)-3-(4-hydroxyphenyl)acrylate 2-propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-3-[4-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]ethoxy]-3,5-dimethoxyphenyl]-2-propenyl ester, (2E) InChI=1/C39H38O12/c1-46-32-23-28(12-17-31(32)42)38(45)35(24-50-37(44)19-11-26-8-15-30(41)16-9-26)51-39-33(47-2)21-27(22-34(39)48-3)5-4-20-49-36(43)18-10-25-6-13-29(40)14-7-25/h4-19,21-23,35,38,40-42,45H,20,24H2,1-3H3/b5-4+,18-10+,19-11+ IKHAPHPJWABCCU-WGSZPKJIBB Dadahol A Erythro-1-(4-hydroxy-3-methoxyphenyl)-2-{2,6-dimethoxy-4-[(1E)-3-(4-hydroxycinnamoyl)-1-propenyl]phenoxy}-3-(4-hydroxycinnamoyl)propan-1-ol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2R,4bS,5S,10R,14S,15S,16R,16aS,17S,18S)-15-(3,5-dihydroxyphenyl)-8,11-dihydroxy-5,14,17,18-tetrakis(4-hydroxyphenyl)-4b,5,10,14,15,16-hexahydro-1H-2,16:10,16a-dimethanobenzo[8,9][1]benzofuro[5',4 1H-2,16:10,16a-dimethanobenzo[8,9]benzofuro[5',4':5,6]cyclonona[1,2,3-cd]benzofuran-1,3(2H)-dione, 15-(3,5-dihydroxyphenyl)-4b,5,10,14,15,16-hexahydro-8,11-dihydroxy-5,14,17,18-tetrakis(4-hydroxypheny InChI=1/C56H40O12/c57-29-9-1-24(2-10-29)42-48-38(64)22-37-46-44-36(20-35(63)21-40(44)67-54(46)27-7-15-32(60)16-8-27)45-47-39(65)23-41-49(50(47)52(42)56(37,55(48)66)51(45)25-3-11-30(58)12-4-25)43(28-17-33(61)19-34(62)18-28)53(68-41)26-5-13-31(59)14-6-26/h QENCSSQOFHZZCZ-PSGPQVICBT Kobophenol B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(3bR,5aS,6R,6aS,9R,10S,10aR,10bR,10cS)-6a,9,10-trihydroxy-7,7,10a-trimethyl-4-oxo-3b,5a,6,6a,7,8,9,10,10a,10b,10c,11-dodecahydro-4H-furo[3',2':2,3]phenanthro[10,1-bc]furan-6-yl rel-acetate (non-prefer naphtho[1,2-b]furan-2(3H)-one, 3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9bS)- InChI=1/C22H28O8/c1-9(23)29-18-16-15-11(7-13-10(5-6-28-13)14(15)19(26)30-16)21(4)17(25)12(24)8-20(2,3)22(18,21)27/h5-6,11-12,14-18,24-25,27H,7-8H2,1-4H3/t11-,12-,14+,15+,16+,17-,18-,21-,22+/m0/s1 PNGGBDIIVKKALA-ZLDHLQCDBW Caesalmin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydro-3H-naphtho[1,2-b]furan-2-one rel-(3aR,5aS,6S,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,8,9b-octahydronaphtho[1,2-b]furan-2(3H)-one naphtho[1,2-b]furan-2(3H)-one, 3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-5a,9-dimethyl-3-methylene-, (3aS,5aR,6R,9bS)- InChI=1/C15H20O3/c1-8-4-5-11(16)15(3)7-6-10-9(2)14(17)18-13(10)12(8)15/h10-11,13,16H,2,4-7H2,1,3H3/t10-,11+,13-,15-/m0/s1 STUGAIDUQVESQE-WJNVRWDZBD Magnolialide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

12-Hydroxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenal (2E,6E,10E)-12-hydroxy-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenal 2,6,10,14-hexadecatetraenal, 12-hydroxy-3,7,11,15-tetramethyl-, (2E,6E,10E,12S)- InChI=1/C20H32O2/c1-16(2)12-13-20(22)19(5)11-7-10-17(3)8-6-9-18(4)14-15-21/h8,11-12,14-15,20,22H,6-7,9-10,13H2,1-5H3/b17-8+,18-14+,19-11+/t20-/m0/s1 UXONXAKNRFMJGZ-UGGRNDNRBN 12-Hydroxy-3,7,11,15-tetramethyl-hexadeca-2,6,10,14-tetraenal . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(5R,9R,10S,13R)-5,6,7,8,9,10,11,12,13,14-decahydro-10,13-epoxy-5,10-cycloretinoic acid 5,10-cycloretinoic acid, 10,13-epoxy-5,6,7,8,9,10,11,12,13,14-decahydro-, (5S,9S,10R,13S)- InChI=1/C20H34O3/c1-14-7-8-15-17(2,3)9-6-10-19(15,5)20(14)12-11-18(4,23-20)13-16(21)22/h14-15H,6-13H2,1-5H3,(H,21,22)/t14-,15?,18-,19-,20+/m0/s1 NVLJYZLKNZPYEN-WICKCUDEBH Dihydrogrindelic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

[2,6-Dihydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-phenyl]-(4-hydroxy-phenyl)-methanone 3,5-dihydroxy-4-(4-hydroxybenzoyl)phenyl beta-glucopyranoside methanone, [4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl](4-hydroxyphenyl)- InChI=1/C19H20O10/c20-7-13-16(25)17(26)18(27)19(29-13)28-10-5-11(22)14(12(23)6-10)15(24)8-1-3-9(21)4-2-8/h1-6,13,16-23,25-27H,7H2/t13-,16-,17+,18-,19-/m1/s1 IGZXRWUKVLSUCF-LQDZTQBFBY 4-O-β-D-Glucopyranosyl-2,6,4'-trihydroxybenzophenone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-[3-(beta-glucopyranosyloxy)-5,7-dihydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl sulfate 4H-1-benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-, ion(1-) InChI=1/C21H20O15S/c22-6-13-15(26)17(28)18(29)21(34-13)35-20-16(27)14-10(25)4-8(23)5-12(14)33-19(20)7-1-2-9(24)11(3-7)36-37(30,31)32/h1-5,13,15,17-18,21-26,28-29H,6H2,(H,30,31,32)/p-1/t13-,15-,17+,18-,21+/m1/s1 YXZPJASIVFGNHX-GVNMAPGWBA Centabractein Quercetin 3-O-β-D-glucopyranoside 3'-sulphate sodium salt . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,7-Dihydroxy-2-(4-hydroxy-2,3,5-trimethoxy-phenyl)-chromen-4-one 5,7-dihydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-4H-chromen-4-one 4H-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)- InChI=1/C18H16O8/c1-23-14-6-9(17(24-2)18(25-3)16(14)22)12-7-11(21)15-10(20)4-8(19)5-13(15)26-12/h4-7,19-20,22H,1-3H3 KHVJWEFGGGAAEH-UHFFFAOYAO 5,7,4'-Trihydroxy-2',3',5'-trimethoxyflavone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-[3-(2,4-Dihydroxy-benzoyl)-2-(4-hydroxy-phenyl)-2,3-dihydro-benzofuran-5-yl]-1-(2,4-dihydroxy-phenyl)-propan-1-one rel-3-[(2R,3R)-3-(2,4-dihydroxybenzoyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-1-(2,4-dihydroxyphenyl)propan-1-one 1-propanone, 3-[(2S,3S)-3-(2,4-dihydroxybenzoyl)-2,3-dihydro-2-(4-hydroxyphenyl)-5-benzofuranyl]-1-(2,4-dihydroxyphenyl)- InChI=1/C30H24O8/c31-18-5-3-17(4-6-18)30-28(29(37)22-10-8-20(33)15-26(22)36)23-13-16(2-12-27(23)38-30)1-11-24(34)21-9-7-19(32)14-25(21)35/h2-10,12-15,28,30-33,35-36H,1,11H2/t28-,30-/m1/s1 OMHHVINHNUDWIC-PQHLKRTFBJ Dihydrolophirone C . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

[4-(2-Bromoethyl)phenoxy]-(1,1-dimethylethyl)dimethylsilane [4-(2-bromoethyl)phenoxy](tert-butyl)dimethylsilane silane, [4-(2-bromoethyl)phenoxy](1,1-dimethylethyl)dimethyl- InChI=1/C14H23BrOSi/c1-14(2,3)17(4,5)16-13-8-6-12(7-9-13)10-11-15/h6-9H,10-11H2,1-5H3 QLDTWFPECLLJRN-UHFFFAOYAB [4-(2-Bromoethyl)phenoxy]-(1,1-dimethylethyl)dimethylsilane . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 6-(2,7-dihydroxy-8-methoxy-5,10-dioxo-5,10-dihydro-chromeno[5,4,3-cde]chromen-3-yloxy)-4,5-dihydroxy-2-methyl-tetrahydro-pyran-3-yl ester 2,7-dihydroxy-8-methoxy-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl 4-O-acetyl-6-deoxy-alpha-mannopyranoside [1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 3-[(4-O-acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-2,7-dihydroxy-8-methoxy- InChI=1/C23H20O13/c1-6-16(33-7(2)24)14(27)15(28)23(32-6)36-18-11(26)5-9-13-12-8(22(30)35-20(13)18)4-10(25)17(31-3)19(12)34-21(9)29/h4-6,14-16,23,25-28H,1-3H3/t6-,14-,15+,16-,23-/m0/s1 BQACUXSQZVEJCN-FGSIAWKFBG 3-O-Methylellagic acid 3'-O-α-4''-O-acetylrhamnopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(4,5-Dimethoxy-7-oxo-5,7-dihydro-1,6-dioxa-8-aza-s-indacen-5-yl)-acetic acid methyl ester methyl (4,5-dimethoxy-7-oxo-5,7-dihydrodifuro[2,3-b:3',4'-e]pyridin-5-yl)acetate difuro[2,3-b:3',4'-e]pyridine-5-acetic acid, 5,7-dihydro-4,5-dimethoxy-7-oxo-, methyl ester InChI=1/C14H13NO7/c1-18-8(16)6-14(20-3)9-10(13(17)22-14)15-12-7(4-5-21-12)11(9)19-2/h4-5H,6H2,1-3H3 FPEQNAFKRZGYPH-UHFFFAOYAX Furomegistine II . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2R,3R)-3-[(1S)-1-(1-hydroxy-1-methylethyl)-4-methylpent-3-en-1-yl]-2'H-spiro[oxirane-2,3'-quinoline]-2',4'(1'H)-dione spiro[oxirane-2,3'(2'H)-quinoline]-2',4'(1'H)-dione, 3-[(1R)-1-(1-hydroxy-1-methylethyl)-4-methyl-3-pentenyl]-, (2S,3S)- InChI=1/C19H23NO4/c1-11(2)9-10-13(18(3,4)23)16-19(24-16)15(21)12-7-5-6-8-14(12)20-17(19)22/h5-9,13,16,23H,10H2,1-4H3,(H,20,22)/t13-,16+,19-/m1/s1 LTWXDPJSMIXKPV-VVFCZOMOBX Haplotubinone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

dimethyl (2beta,12beta,19alpha)-16,17-dimethoxy-21-oxo-11,21-cycloaspidospermidine-1,2-dicarboxylate 11,21-cycloaspidospermidine-1,2-dicarboxylic acid, 16,17-dimethoxy-21-oxo-, dimethyl ester, (2beta,12beta,19alpha)- InChI=1/C25H30N2O7/c1-31-17-7-6-14-18(19(17)32-2)27(22(30)34-4)24(21(29)33-3)10-9-23-8-5-11-26-13-15(16(28)12-23)25(14,24)20(23)26/h6-7,15,20H,5,8-13H2,1-4H3/t15?,20-,23+,24+,25-/m0/s1 SADNZWUIRNBYPP-COBYOQRRBL Methyl 11,12-dimethoxychanofruticosinate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(4R,18S)-4,7-dimethyl-18-[2-(methylthio)ethyl]-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione 6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-5(24),7,12(23),14,19(22),21-hexaene-2,9,16-trione, 4,7-dimethyl-18-[2-(methylthio)ethyl]-, (4S,18R)- InChI=1/C20H22N6O4S3/c1-9-19-26-15(10(2)30-19)18(29)21-6-14-23-12(7-32-14)17(28)24-11(4-5-31-3)20-25-13(8-33-20)16(27)22-9/h7-9,11H,4-6H2,1-3H3,(H,21,29)(H,22,27)(H,24,28)/t9-,11+/m0/s1 DMFUPHMBLSJHNR-GXSJLCMTBW Nostocyclamide M . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

13-Bromo-10,11-dichloro-7,11-dimethyl-3-methylene-4-oxo-trideca-6,8,12-trienoic acid rel-(6E,8E,10R,11S,12E)-13-bromo-10,11-dichloro-7,11-dimethyl-3-methylene-4-oxotrideca-6,8,12-trienoic acid 6,8,12-tridecatrienoic acid, 13-bromo-10,11-dichloro-7,11-dimethyl-3-methylene-4-oxo-, (6E,8E,10S,11R,12E)- InChI=1/C16H19BrCl2O3/c1-11(4-6-13(20)12(2)10-15(21)22)5-7-14(18)16(3,19)8-9-17/h4-5,7-9,14H,2,6,10H2,1,3H3,(H,21,22)/b7-5+,9-8+,11-4+/t14-,16+/m0/s1 GOWQWBXAQSXSLZ-FTQBFQHLBR (6E,8E,12E)-3-methylene-4-oxo-7,11-dimethyl-(10S*,11R*)-dichloro-13-bromo-trideca-6,8,12-trienoic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 8-oxo-4-vinyl-4,4a,5,6-tetrahydro-3H,8H-pyrano[3,4-c]pyran-3-yl ester (4aR,5R,6S)-1-oxo-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl rel-acetate 1H,3H-pyrano[3,4-c]pyran-1-one, 6-(acetyloxy)-5-ethenyl-4,4a,5,6-tetrahydro-, (4aS,5S,6R)- InChI=1/C12H14O5/c1-3-8-9-4-5-15-11(14)10(9)6-16-12(8)17-7(2)13/h3,6,8-9,12H,1,4-5H2,2H3/t8-,9-,12+/m0/s1 GDKIXQMXZPJDGT-HOTUBEGUBH Sweroside aglucone-1-acetate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(1,3-thiazol-2-yl)-1H-indole 1H-indole, 3-(2-thiazolyl)- InChI=1/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H IYODIJVWGPRBGQ-UHFFFAOYAV Camalexin . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(5aR,6R,12bS)-1,12b-dihydroxy-3-methoxy-5a-(4-methoxyphenyl)-6-phenyl-5a,6,9,10,11,12b-hexahydro-7H-[1]benzofuro[2',3':4,5]cyclopenta[1,2-d]pyrrolo[1,2-a]pyrimidin-7-one 7H-benzofuro[2',3':4,5]cyclopenta[1,2-d]pyrrolo[1,2-a]pyrimidin-7-one, 5a,6,9,10,11,12b-hexahydro-1,12b-dihydroxy-3-methoxy-5a-(4-methoxyphenyl)-6-phenyl-, (5aR,6R,12bS)- InChI=1/C30H26N2O6/c1-36-19-12-10-18(11-13-19)30-25(17-7-4-3-5-8-17)24-27(31-23-9-6-14-32(23)28(24)34)29(30,35)26-21(33)15-20(37-2)16-22(26)38-30/h3-5,7-8,10-13,15-16,25,33,35H,6,9,14H2,1-2H3/t25-,29+,30+/m1/s1 KTFBOLLZQNMGNM-CPESWEKQBV (-)-(6R,6aR,11bS)-11,11b-Dihydroxy-9-methoxy-6a-(4-methoxyphenyl)-6-phenyl-2,3,5,6,6a,11b-hexahydro-1H-benzo[4",5"]furo[2",3":4",5"]cyclopenta[1',2'-d]pyrrolo[1,2-a]pyrimidin-5-one Marikarin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-(3,4-Dihydroxy-but-1-enyl)-3,5,5-trimethyl-cyclohex-2-enone 4-[(1E)-3,4-dihydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one 2-cyclohexen-1-one, 4-[(1E)-3,4-dihydroxy-1-butenyl]-3,5,5-trimethyl-, (4R)- InChI=1/C13H20O3/c1-9-6-11(16)7-13(2,3)12(9)5-4-10(15)8-14/h4-6,10,12,14-15H,7-8H2,1-3H3/b5-4+/t10?,12-/m0/s1 QNFGCJUWVHQNGF-ADPYTCEQBG (+)-4-(3,4-Dihydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexenone 9,10-Dihydroxy-4,7-megastigmadien-3-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(4-Hydroxy-phenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-but-2-enyl)-3-(2-oxo-propyl)-8H-pyrano[2,3-f]chromene-2,4-dione 3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-3-(2-oxopropyl)-2H,8H-pyrano[2,3-f]chromene-2,4(3H)-dione phenol, 4-[(E)-2-[3,5-dimethoxy-4-(3-methyl-2-butenyl)phenyl]ethenyl]- InChI=1/C29H30O7/c1-16(2)7-12-20-23-21(13-14-28(4,5)36-23)25-22(24(20)34-6)26(32)29(15-17(3)30,27(33)35-25)18-8-10-19(31)11-9-18/h7-11,13-14,31H,12,15H2,1-6H3 AUSJFHGDFPYQKK-UHFFFAOYAV 3-(4'-Hydroxyphenyl)-5-methoxy-6-(3,3-dimethylallyl)-2",2"-dimethylchromene-(5",6":8,7)-3-(propyl-2-one)-4H-1-benzo-2,3-dihydropyran-2,4-dione . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-{2-[3,5-Dimethoxy-4-(3-methyl-but-2-enyl)-phenyl]-vinyl}-phenol 4-{(E)-2-[3,5-dimethoxy-4-(3-methylbut-2-en-1-yl)phenyl]vinyl}phenol phenol, 4-[(E)-2-[3,5-dimethoxy-4-(3-methyl-2-butenyl)phenyl]ethenyl]- InChI=1/C21H24O3/c1-15(2)5-12-19-20(23-3)13-17(14-21(19)24-4)7-6-16-8-10-18(22)11-9-16/h5-11,13-14,22H,12H2,1-4H3/b7-6+ BXJBLAVSDBVABQ-VOTSOKGWBA 3',5'-Dimethoxy-4-hydroxy-4'-(3,3-dimethylallyl)stilbene 3,5-Dimethoxy-4'-hydroxy-4-(3,3-dimethylallyl)stilbene . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(4-Methoxy-phenyl)-acrylic acid 7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-1,2,3,4,4a,5,8,8a-octahydro-naphthalen-1-yl ester (1R,4aR,8R,8aS)-7,8-diformyl-4a-hydroxy-4,4,8a-trimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl rel-(2E)-3-(4-methoxyphenyl)acrylate 2-propenoic acid, 3-(4-methoxyphenyl)-, (1R,4aR,8R,8aS)-7,8-diformyl-1,2,3,4,4a,5,8,8a-octahydro-4a-hydroxy-4,4,8a-trimethyl-1-naphthalenyl ester, (2E)- InChI=1/C25H30O6/c1-23(2)13-12-21(24(3)20(16-27)18(15-26)11-14-25(23,24)29)31-22(28)10-7-17-5-8-19(30-4)9-6-17/h5-11,15-16,20-21,29H,12-14H2,1-4H3/b10-7+/t20-,21+,24-,25+/m0/s1 ZQYOVSWUNPPKMW-OVKSSVTDBP Drimanial . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Acetoxy-4-(4-hydroxy-2-methyl-but-2-enoyloxy)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydro-cyclodeca[b]furan-6-carboxylic acid methyl ester methyl rel-(3aR,4R,5R,6E,10E,11aS)-5-(acetyloxy)-4-{[(2E)-4-hydroxy-2-methylbut-2-enoyl]oxy}-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylate cyclodeca[b]furan-6-carboxylic acid, 5-(acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-4-[[(2E)-4-hydroxy-2-methyl-1-oxo-2-butenyl]oxy]-10-methyl-3-methylene-2-oxo-, methyl ester, (3aS,4S,5S,6E,10E,11aR)- InChI=1/C23H28O9/c1-12-7-6-8-16(23(28)29-5)19(30-15(4)25)20(32-21(26)13(2)9-10-24)18-14(3)22(27)31-17(18)11-12/h8-9,11,17-20,24H,3,6-7,10H2,1-2,4-5H3/b12-11+,13-9+,16-8+/t17-,18+,19+,20+/m1/s1 WXMIYQKHLZHWAN-YFCCLZTEBE 5-Acetoxy-4-(4-hydroxy-2-methyl-but-2-enoyloxy)-10-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydro-cyclodeca[b]furan-6-carboxylic acid methyl ester . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-Hydroxy-5,7,7-trimethyl-3,3a,7,7a-tetrahydro-1H-isobenzofuran-4-one rel-(1R,3aS,7aS)-1-hydroxy-5,7,7-trimethyl-3,3a,7,7a-tetrahydro-2-benzofuran-4(1H)-one 4(1H)-isobenzofuranone, 3,3a,7,7a-tetrahydro-1-hydroxy-5,7,7-trimethyl-, (1R,3aS,7aS)- InChI=1/C11H16O3/c1-6-4-11(2,3)8-7(9(6)12)5-14-10(8)13/h4,7-8,10,13H,5H2,1-3H3/t7-,8-,10-/m1/s1 GBYYWZSCZPZVLI-NQMVMOMDBW Tschimganical A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Methyl-butyric acid 3,4,5-trihydroxy-6-(2-methyl-4-oxo-4H-pyran-3-yloxy)-tetrahydro-pyran-2-ylmethyl ester 2-methyl-4-oxo-4H-pyran-3-yl 6-O-(3-methylbutanoyl)-beta-glucopyranoside 4H-pyran-4-one, 2-methyl-3-[[6-O-(3-methyl-1-oxobutyl)-beta-D-glucopyranosyl]oxy]- InChI=1/C17H24O9/c1-8(2)6-12(19)24-7-11-13(20)14(21)15(22)17(25-11)26-16-9(3)23-5-4-10(16)18/h4-5,8,11,13-15,17,20-22H,6-7H2,1-3H3/t11-,13-,14+,15-,17+/m1/s1 MPFPIAVHXWQKPZ-AQFIFQLPBU 3-Hydroxyl-2-methyl-4H-pyran-4-one-3-O-(6-O-isovaleryl)-β-D-glucopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-Hydroxy-3-(2-hydroxy-propyl)-6-methoxy-isochromen-1-one 8-hydroxy-3-(2-hydroxypropyl)-6-methoxy-1H-isochromen-1-one 1H-2-benzopyran-1-one, 8-hydroxy-3-(2-hydroxypropyl)-6-methoxy- InChI=1/C13H14O5/c1-7(14)3-10-5-8-4-9(17-2)6-11(15)12(8)13(16)18-10/h4-7,14-15H,3H2,1-2H3 ORLHWDAVUBPRKN-UHFFFAOYAQ Diaporthin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Methoxy-5-phenethyl-phenol 3-methoxy-5-(2-phenylethyl)phenol phenol, 3-methoxy-5-(2-phenylethyl)- InChI=1/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3 HPEFWCAKFRCLBD-UHFFFAOYAV 3-O-Methyldihydropinosylvin 5-Methoxy-bibenzyl-3-ol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

20,23-Dibenzyl-17-(1H-indol-3-ylmethyl)-8-isobutyl-14-isopropyl-5-(2-methanesulfinyl-ethyl)-11-(2-methylsulfanyl-ethyl)-octadecahydro-3a,6,9,12,15,18,21,24-octaaza-cyclopentacyclotetracosen-4,7,10,13,16,19,22,25-octaone rel-(3R,6R,9R,12R,15R,18R,21R,26aR)-3,6-dibenzyl-9-(1H-indol-3-ylmethyl)-18-isobutyl-12-isopropyl-21-[2-(methylsulfinyl)ethyl]-15-[2-(methylthio)ethyl]octadecahydropyrrolo[1,2-a][1,4,7,10,13,16,19,22] ethanone, 1-[(2S,4aR,4bS,8R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-8-hydroxy-8-(hydroxymethyl)-2,4b-dimethyl-2-phenanthrenyl]-2-hydroxy- InChI=1/C55H73N9O9S2/c1-33(2)28-42-49(66)58-41(24-27-75(6)73)55(72)64-25-15-22-46(64)53(70)62-44(30-36-18-11-8-12-19-36)51(68)60-43(29-35-16-9-7-10-17-35)50(67)61-45(31-37-32-56-39-21-14-13-20-38(37)39)52(69)63-47(34(3)4)54(71)57-40(23-26-74-5)48(65)59-4 GJIDPIIOUZERFG-ONEWMBNIBJ Cyclo(-Pro-Phe-Phe-Trp-Val-Met-Leu-Mso-) Cyclolinopeptide I . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-Hydroxy-1-(8-hydroxy-8-hydroxymethyl-2,4b-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-phenanthren-2-yl)-ethanone rel-2-hydroxy-1-[(2R,4aS,4bR,8S,8aR)-8-hydroxy-8-(hydroxymethyl)-2,4b-dimethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]ethanone ethanone, 1-[(2S,4aR,4bS,8R,8aS)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-8-hydroxy-8-(hydroxymethyl)-2,4b-dimethyl-2-phenanthrenyl]-2-hydroxy- InChI=1/C19H30O4/c1-17(16(22)11-20)9-6-14-13(10-17)4-5-15-18(14,2)7-3-8-19(15,23)12-21/h10,14-15,20-21,23H,3-9,11-12H2,1-2H3/t14-,15+,17+,18+,19+/m1/s1 MLILHESQKRQFGI-UYKLPWQDBI ent-19-nor-4,16,18-trihydroxy-8(14)-pimaren-15-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Hydroxy-4-hydroxymethyl-1-(1-hydroxy-3-methyl-but-2-enyl)-3-propenyl-7-oxa-bicyclo[4.1.0]hept-3-en-2-one rel-(1R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(1R)-1-hydroxy-3-methylbut-2-en-1-yl]-3-[(1E)-prop-1-en-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-one 7-oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-4-(hydroxymethyl)-1-[(1R)-1-hydroxy-3-methyl-2-butenyl]-3-[(1E)-1-propenyl]-, (1R,5S,6R)- InChI=1/C15H20O5/c1-4-5-9-10(7-16)12(18)14-15(20-14,13(9)19)11(17)6-8(2)3/h4-6,11-12,14,16-18H,7H2,1-3H3/b5-4+/t11-,12+,14-,15+/m1/s1 BVDWYNXYKLDKKP-LSHLVPIFBO Hydroxy-jesterone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-Methyl-but-2-enoic acid 2,3,6-trihydroxy-4,5-bis-(2-methyl-butyryloxy)-cyclohexyl ester (1R,2S,3S,4R,5S,6S)-2,3,6-trihydroxy-4,5-bis[(2-methylbutanoyl)oxy]cyclohexyl rel-(2Z)-2-methylbut-2-enoate 2-butenoic acid, 2-methyl-, (1S,2R,3R,4S,5R,6R)-2,3,6-trihydroxy-4,5-bis(2-methyl-1-oxobutoxy)cyclohexyl ester, (2Z)- InChI=1/C21H34O9/c1-7-10(4)19(25)28-16-13(22)14(23)17(29-20(26)11(5)8-2)18(15(16)24)30-21(27)12(6)9-3/h7,11-18,22-24H,8-9H2,1-6H3/b10-7-/t11?,12?,13-,14-,15-,16+,17+,18-/m1/s1 AYEJNUCPRPFJIX-TXONQRPHBA 6-Angeloyl-2,3-dimethylbutanoyl-myoinositol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-(3,7-Dimethyl-octa-2,6-dienyl)-5-hydroxy-2,8-dimethyl-6-(3-methyl-but-2-enyl)-2,3-dihydro-8H-chromene-4,7-dione 8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-hydroxy-2,8-dimethyl-6-(3-methylbut-2-en-1-yl)-2H-chromene-4,7(3H,8H)-dione 2H-1-benzopyran-4,7(3H,8H)-dione, 8-[(2E)-3,7-dimethyl-2,6-octadienyl]-5-hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)- InChI=1/C26H36O4/c1-16(2)9-8-10-18(5)13-14-26(7)24(29)20(12-11-17(3)4)23(28)22-21(27)15-19(6)30-25(22)26/h9,11,13,19,28H,8,10,12,14-15H2,1-7H3/b18-13+ ISUDURLJZPCYDL-QGOAFFKABK 5-Hydroxy-2,8-dimethyl-6-(3-methyl-2-butenyl)-8-(3,7-dimethyl-2,6-octadienyl)-2H-1-benzopyran-4,7(3H,8H)-dione . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-Hydroxy-5-(4-hydroxy-benzyl)-5-methoxy-cyclopent-2-enone 2-hydroxy-5-(4-hydroxybenzyl)-5-methoxycyclopent-2-en-1-one 2-cyclopenten-1-one, 2-hydroxy-5-[(4-hydroxyphenyl)methyl]-5-methoxy- InChI=1/C13H14O4/c1-17-13(7-6-11(15)12(13)16)8-9-2-4-10(14)5-3-9/h2-6,14-15H,7-8H2,1H3 UJDWQMHSONZRPQ-UHFFFAOYAY Vidalenolone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-[(6-deoxy-alpha-D-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl rel-6-deoxy-alpha-D-mannopyranoside 4H-1-benzopyran-4-one, 3,7-bis[(6-deoxy-alpha-L-mannopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)- InChI=1/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9?,10?,17-,18-,20+,21+,22?,23?,26-,27-/m0/s1 PUPKKEQDLNREIM-ZROYBEAWBR Kaempferol-3,7-di-O-a-L-rhamnoside . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethyl (2-bromo-5-isopropoxy-4-methoxyphenyl)acetate benzeneacetic acid, 2-bromo-4-methoxy-5-(1-methylethoxy)-, ethyl ester InChI=1/C14H19BrO4/c1-5-18-14(16)7-10-6-13(19-9(2)3)12(17-4)8-11(10)15/h6,8-9H,5,7H2,1-4H3 FJAQYBBWFLBYEK-UHFFFAOYAQ 2-Bromo-4-methoxy-5-(1-methylethoxy)benzeneacetic Acid Ethyl Ester . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

5-Benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaaza-bicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentaone rel-(2R,5R,8R,11R,15R)-5-benzyl-15-ethyl-8-isopropyl-2,6,9,11-tetramethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone 12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]heneicosa-1(21),18-diene-4,7,10,13,17-pentone, 15-ethyl-2,6,9,11-tetramethyl-8-(1-methylethyl)-5-(phenylmethyl)-, (2S,5S,8S,11S,15S)- InChI=1/C30H41N5O6S/c1-8-21-15-24(36)41-19(5)29(39)35(7)25(17(2)3)30(40)34(6)23(14-20-12-10-9-11-13-20)27(38)31-18(4)28-33-22(16-42-28)26(37)32-21/h9-13,16-19,21,23,25H,8,14-15H2,1-7H3,(H,31,38)(H,32,37)/t18-,19-,21-,23-,25-/m0/s1 HTERYHQTEBIQTA-USLAZGEGBR Obyanamide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6,9-Dichloro-3-methyl-pyrazolo[1,5-f]phenanthridine-2-carboxylic acid piperidin-1-ylamide 6,9-dichloro-3-methyl-N-piperidin-1-ylpyrazolo[1,5-f]phenanthridine-2-carboxamide pyrazolo[1,5-f]phenanthridine-2-carboxamide, 6,9-dichloro-3-methyl-N-1-piperidinyl- InChI=1/C22H20Cl2N4O/c1-13-20(22(29)26-27-9-3-2-4-10-27)25-28-19-8-6-15(24)12-18(19)17-11-14(23)5-7-16(17)21(13)28/h5-8,11-12H,2-4,9-10H2,1H3,(H,26,29) BXWUBVYVCIRKCU-UHFFFAOYAR 6,9-Dichloro-3-methyl-pyrazolo[1,5-f]phenanthridine-2-carboxylic acid piperidin-1-ylamide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,3-Dihydro-1-aza-benzo[de]anthracen-7-one 2,3-dihydro-7H-dibenzo[de,h]quinolin-7-one 7H-dibenzo[de,h]quinolin-7-one, 2,3-dihydro- InChI=1/C16H11NO/c18-16-12-6-2-1-5-11(12)15-14-10(8-9-17-15)4-3-7-13(14)16/h1-7H,8-9H2 SWXXZNFUWOJCOC-UHFFFAOYAP 2,3-Dihydro-7H-dibenzo[de,h]quinolin-7-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-acetylamino-3-(1-methyl-5-nitro-1H-imidazol-4-yl)-propionic acid methyl ester methyl N-acetyl-1-methyl-5-nitrohistidinate histidine, N-acetyl-1-methyl-5-nitro-, methyl ester InChI=1/C10H14N4O5/c1-6(15)12-8(10(16)19-3)4-7-9(14(17)18)13(2)5-11-7/h5,8H,4H2,1-3H3,(H,12,15) NAAFMFAJWVABNF-UHFFFAOYAR N3-Methyl-N-acetyl-4-nitrohistidine methyl ester . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Benzo[1,3]dioxol-5-yl-5,7-dihydroxy-6-methoxy-chromen-4-one 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one 4H-1-benzopyran-4-one, 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-methoxy- InChI=1/C17H12O7/c1-21-17-10(18)5-13-14(16(17)20)15(19)9(6-22-13)8-2-3-11-12(4-8)24-7-23-11/h2-6,18,20H,7H2,1H3 JPTHUHXDIAJESU-UHFFFAOYAZ Dalspinin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 4-benzo[1,3]dioxol-5-yl-5,6,7-trimethoxy-3-oxo-1,4,9,9a-tetrahydro-naphtho[2,3-c]furan-3a-yl ester (3aR,4R,9aS)-4-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-3-oxo-1,4,9,9a-tetrahydronaphtho[2,3-c]furan-3a(3H)-yl rel-acetate naphtho[2,3-c]furan-1(3H)-one, 9a-(acetyloxy)-9-(1,3-benzodioxol-5-yl)-3a,4,9,9a-tetrahydro-6,7,8-trimethoxy-, (3aS,9R,9aR)- InChI=1/C24H24O9/c1-12(25)33-24-15(10-30-23(24)26)7-14-9-18(27-2)21(28-3)22(29-4)19(14)20(24)13-5-6-16-17(8-13)32-11-31-16/h5-6,8-9,15,20H,7,10-11H2,1-4H3/t15-,20+,24-/m0/s1 SEMJADKBFZYYKQ-VNJOCVIMBJ 2α-Acetoxy-6-methoxypolygamatin Erlangerin B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

9-Hydroperoxy-5,9,13-trimethyl-18-methylene-4,16-dioxa-tricyclo[13.3.0.0^(3,5)]octadec-7-ene-14,17-dione rel-(1aR,5S,9R,10aR,13aS,14aR)-5-hydroperoxy-1a,5,9-trimethyl-13-methylene-2,5,6,7,8,9,13,13a,14,14a-decahydrooxireno[4,5]cyclotetradeca[1,2-b]furan-10,12(1aH,10aH)-dione oxireno[4,5]cyclotetradeca[1,2-b]furan-10,12(1aH,10aH)-dione, 2,5,6,7,8,9,13,13a,14,14a-decahydro-5-hydroperoxy-1a,5,9-trimethyl-13-methylene-, (1aR,5S,9R,10aR,13aS,14aR)- InChI=1/C20H28O6/c1-12-7-5-8-19(3,26-23)9-6-10-20(4)15(25-20)11-14-13(2)18(22)24-17(14)16(12)21/h6,9,12,14-15,17,23H,2,5,7-8,10-11H2,1,3-4H3/b9-6+/t12-,14+,15-,17-,19+,20-/m1/s1 BTJROEGVRQVIDB-TWTWDSDTBA Uprolide H . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(4aE,6R,7R,8S,14aS)-3-methoxy-6,7-dimethyl-1,2-dioxo-2,6,7,8-tetrahydro-1H-10,12,13-trioxabenzo[1,8]cycloocta[1,2,3-cd]-as-indacen-8-yl rel-(2Z)-2-methylbut-2-enoate 2-butenoic acid, 2-methyl-, (4aE,6R,7R,8S,14aS)-2,6,7,8-tetrahydro-3-methoxy-6,7-dimethyl-1,2-dioxo-1H,14H-10,12,13-trioxabenzo[1,8]cyclooct[1,2,3-cd]-as-indacen-8-yl ester, (2Z)- InChI=1/C26H26O8/c1-6-12(2)25(29)34-21-14(4)13(3)7-15-8-17(30-5)20(27)24(28)26(15)10-31-23-19(26)16(21)9-18-22(23)33-11-32-18/h6-9,13-14,21H,10-11H2,1-5H3/b12-6-,15-7+/t13-,14-,21?,26+/m1/s1 PFTANZOUWVSEQC-LYOMOLCABI Interiotherin D . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Benzoic acid 2,5,7,9,11-pentaacetoxy-1-hydroxy-4,12,12,15-tetramethyl-8-methylene-14-oxo-16-oxa-tricyclo[11.2.1.0^(2,6)]hexadec-10-yl ester (1R,2R,3aS,4S,5S,7S,9R,10R,11S,13S,13aS)-1,3a,9,11,13-pentakis(acetyloxy)-4-hydroxy-2,5,8,8-tetramethyl-12-methylene-6-oxotetradecahydro-1H-4,7-epoxycyclopenta[12]annulen-10-yl rel-benzoate 4,7-epoxy-6H-cyclopentacyclododecen-6-one, 1,3a,9,11,13-pentakis(acetyloxy)-10-(benzoyloxy)tetradecahydro-4-hydroxy-2,5,8,8-tetramethyl-12-methylene-, (1S,2S,3aR,4R,5R,7R,9S,10S,11R,13aR)- InChI=1/C37H46O15/c1-17-16-36(51-24(8)42)26(28(17)46-20(4)38)29(47-21(5)39)18(2)30(48-22(6)40)31(50-34(44)25-14-12-11-13-15-25)33(49-23(7)41)35(9,10)32-27(43)19(3)37(36,45)52-32/h11-15,17,19,26,28-33,45H,2,16H2,1,3-10H3/t17-,19+,26+,28-,29-,30+,31+,32-,3 VKHCUWUNVKZFBM-MOAAMEIYBD Kansuinin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Octa-2,4-dienoic acid 9a-acetoxy-7b-hydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl ester (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl rel-(2Z,4E)-octa-2,4 2,4-octadienoic acid, (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl InChI=1/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21-,22-,23+,26-,27-,29+,30-/m1/s1 ALKHEZOKTHCOBM-GTBZSHDQBN 13-O-Acetyl-12-O-(2'Z,4'E-octadienoyl)-4α-deoxyphorbol 13-O-Acetyl-12-O-(Z,E)-2,4-octadienoyl-4-desoxyphorbol Pedilstatin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-{16-Hydroxy-13-hydroxymethyl-17-[5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydro-furan-2-yl]-4,4,14-trimethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-yloxy}-tetrahydro-pyran-3,4,5-triol rel-2-({(2R,3aR,7R,9aS,10aR,12aR)-2-hydroxy-12a-(hydroxymethyl)-1-[5-(1-hydroxy-1-methylethyl)-2-methyltetrahydrofuran-2-yl]-3a,6,6-trimethyltetradecahydro-1H-cyclopenta[a]cyclopropa[e]phenanthren-7-y lanost-8-en-26-oic acid, 3,7,12,20-tetrahydroxy-11,15,23-trioxo-, (3beta,7beta,12beta,20R)- InChI=1/C35H58O9/c1-29(2)21-7-8-22-31(5)15-19(37)27(32(6)11-9-24(44-32)30(3,4)41)35(31,18-36)14-13-34(22)17-33(21,34)12-10-23(29)43-28-26(40)25(39)20(38)16-42-28/h19-28,36-41H,7-18H2,1-6H3/t19-,20?,21?,22?,23-,24?,25?,26?,27?,28?,31-,32?,33+,34-,35-/m0/s BVEFRZQCXTXCOQ-WTHOCMKZBZ (20S*,24R*)-epoxy-9,19-cyclolanostane-3β,16β,18,25-tetraol-3-O-β-D-xylopyranoside Beesioside A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Hydroxy-2-methyl-4-oxo-6-(3,7,12-trihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-heptanoic acid (3beta,7beta,12beta,20R)-3,7,12,20-tetrahydroxy-11,15,23-trioxolanost-8-en-26-oic acid InChI=1/C30H44O9/c1-14(25(37)38)10-15(31)13-28(5,39)18-12-20(34)30(7)21-16(32)11-17-26(2,3)19(33)8-9-27(17,4)22(21)23(35)24(36)29(18,30)6/h14,16-19,24,32-33,36,39H,8-13H2,1-7H3,(H,37,38)/t14?,16-,17-,18+,19-,24+,27-,28+,29-,30-/m0/s1 HHCQRNABFNZPFW-JIGYJUEMBQ 20-Hydroxylganoderic acid G . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(16alpha)-curan-17-ol curan-17-ol, (16alpha)- InChI=1/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3/t12-,13+,14+,17+,18+,19-/m1/s1 FAQGZHFLASTWAV-RWANUPMIBE (16α)-Curan-17-ol (16βH)-Curan-17-ol 16βH-Curan-17-ol Geissoschizoline Pereirine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

12-Hydroxy-16-(1H-indol-3-ylmethyl)-7,13,14-trimethyl-17-aza-tricyclo[9.7.0.0^(1,15)]octadeca-9,13-diene-2,5,18-trione rel-(3R,3aS,6S,6aR,7E,10S,15aR)-6-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10-trimethyl-2,3,3a,6,6a,9,10,11,13,14-decahydro-1H-cycloundeca[d]isoindole-1,12,15-trione 2H-pyrrol-2-one, 3-[(4E,6E,8S,11Z)-13-[(2S)-2,5-dihydro-3-hydroxy-4-methyl-5-oxo-2-furanyl]-4,8,12-trimethyl-4,6,11-tridecatrienyl]-1,5-dihydro-1-(3-methylbutyl)- InChI=1/C29H34N2O4/c1-16-7-6-9-22-27(34)18(3)17(2)26-24(14-19-15-30-23-10-5-4-8-21(19)23)31-28(35)29(22,26)25(33)12-11-20(32)13-16/h4-6,8-10,15-16,22,24,26-27,30,34H,7,11-14H2,1-3H3,(H,31,35)/b9-6+/t16-,22-,24+,26+,27+,29+/m0/s1 RMKCVIBEARVAGQ-VHOJRULHBH Cytochalasin X . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-[13-(3-Hydroxy-4-methyl-5-oxo-2,5-dihydro-furan-2-yl)-4,8,12-trimethyl-trideca-4,6,11-trienyl]-1-(3-methyl-butyl)-1,5-dihydro-pyrrol-2-one rel-3-{(4E,6E,8R,11Z)-13-[(2R)-3-hydroxy-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]-4,8,12-trimethyltrideca-4,6,11-trien-1-yl}-1-(3-methylbutyl)-1,5-dihydro-2H-pyrrol-2-one 2H-pyrrol-2-one, 3-[(4E,6E,8S,11Z)-13-[(2S)-2,5-dihydro-3-hydroxy-4-methyl-5-oxo-2-furanyl]-4,8,12-trimethyl-4,6,11-tridecatrienyl]-1,5-dihydro-1-(3-methylbutyl)- InChI=1/C30H45NO4/c1-21(2)16-18-31-19-17-26(29(31)33)15-9-13-23(4)11-7-10-22(3)12-8-14-24(5)20-27-28(32)25(6)30(34)35-27/h7,10-11,14,17,21-22,27,32H,8-9,12-13,15-16,18-20H2,1-6H3/b10-7+,23-11+,24-14-/t22-,27+/m1/s1 IDSXOIOXEMBIDK-QAVDTZCXBM Sarcotrine A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Hydroxy-7-(4-hydroxy-3-methoxy-phenyl)-1-(4-hydroxy-phenyl)-heptan-3-one 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one 3-heptanone, 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)- InChI=1/C20H24O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-3,6-8,11-12,18,21,23-24H,4-5,9-10,13H2,1H3 WAHUIEHYVBLIER-UHFFFAOYAB 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-3-heptanone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Hydroxy-benzoic acid 2-hydroxy-6a-isopropyl-4-methyl-4-(3-oxo-butyl)-hexahydro-cyclopenta[b]furan-3-yl ester (2R,3R,4R,6aR)-2-hydroxy-6a-isopropyl-4-methyl-4-(3-oxobutyl)hexahydro-2H-cyclopenta[b]furan-3-yl rel-4-hydroxybenzoate benzoic acid, 4-hydroxy-, (2R,3R,4R,6aR)-hexahydro-2-hydroxy-4-methyl-6a-(1-methylethyl)-4-(3-oxobutyl)-2H-cyclopenta[b]furan-3-yl ester InChI=1/C22H30O6/c1-13(2)22-12-11-21(4,10-9-14(3)23)18(22)17(20(26)28-22)27-19(25)15-5-7-16(24)8-6-15/h5-8,13,17-18,20,24,26H,9-12H2,1-4H3/t17-,18?,20-,21+,22-/m1/s1 NXAOPHXQGPBAHR-OEXQSEKGBM Kuhistaferone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3',3',6'-Trimethyl-3'a,4',5',7'a-tetrahydro-3'H-spiro[cyclohex-3-ene-1,1'-isobenzofuran]-2,5-dione rel-(1R,3aS,7aR)-3,3,6-trimethyl-3a,4,5,7a-tetrahydro-2'H,3H,5'H-spiro[2-benzofuran-1,1'-cyclohex[3]ene]-2',5'-dione spiro[cyclohex-3-ene-1,1'(3'H)-isobenzofuran]-2,5-dione, 3'a,4',5',7'a-tetrahydro-3',3',6'-trimethyl-, (1R,3a'S,7a'R)- InChI=1/C16H20O3/c1-10-4-6-12-13(8-10)16(19-15(12,2)3)9-11(17)5-7-14(16)18/h5,7-8,12-13H,4,6,9H2,1-3H3/t12-,13+,16+/m0/s1 GZXIEHLFGFWNKB-WOSRLPQWBZ Conidione . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

19-(5-Hydroxy-3,4-dimethoxy-tetrahydro-pyran-2-yloxy)-10,20-dimethyl-5,15-bis-(2-methyl-cyclopropyl)-9-(3,4,5-trimethoxy-tetrahydro-pyran-2-yloxy)-4,14,21,22-tetraoxa-tricyclo[15.3.1.1^(7,11)]docosane-3,13-dione rel-(1R,5R,7R,9R,10R,11R,15R,17R,19R,20R)-9-[(5-hydroxy-3,4-dimethoxytetrahydro-2H-pyran-2-yl)oxy]-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-19-[(3,4,5-trimethoxytetrahydro-2H-pyran-2-yl)ox 1H-carbazole-8-carboxylic acid, 1-formyl-4,9-dihydro-1,9-dihydroxy-4-oxo-, methyl ester InChI=1/C43H70O16/c1-20-10-26(20)33-14-24-12-29(58-42-40(50-8)38(48-6)28(44)18-52-42)22(3)31(54-24)16-36(45)57-34(27-11-21(27)2)15-25-13-30(23(4)32(55-25)17-37(46)56-33)59-43-41(51-9)39(49-7)35(47-5)19-53-43/h20-35,38-44H,10-19H2,1-9H3/t20-,21-,22+,23+,2 VZJHKECEUCVCRQ-SCNAWVSWBS Clavosolide C . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-Formyl-8,9-dihydroxy-5-oxo-8,9-dihydro-5H-carbazole-1-carboxylic acid methyl ester methyl 1-formyl-1,9-dihydroxy-4-oxo-4,9-dihydro-1H-carbazole-8-carboxylate 1H-carbazole-8-carboxylic acid, 1-formyl-4,9-dihydro-1,9-dihydroxy-4-oxo-, methyl ester InChI=1/C15H11NO6/c1-22-14(19)9-4-2-3-8-11-10(18)5-6-15(20,7-17)13(11)16(21)12(8)9/h2-7,20-21H,1H3 RDPBKZPRYZVBHR-UHFFFAOYAB 8-Formyl-8,9-dihydroxy-5-oxo-8,9-dihydro-5H-carbazole-1-carboxylic acid methyl ester Coproverdine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(4-Hydroxy-3a-methyl-7-methylene-octahydro-inden-1-yl)-2-methyl-propan-1-one rel-1-[(1R,3aR,4R,7aR)-4-hydroxy-3a-methyl-7-methyleneoctahydro-1H-inden-1-yl]-2-methylpropan-1-one 1-propanone, 2-methyl-1-[(1S,3aS,4S,7aS)-octahydro-4-hydroxy-3a-methyl-7-methylene-1H-inden-1-yl]- InChI=1/C15H24O2/c1-9(2)14(17)11-7-8-15(4)12(16)6-5-10(3)13(11)15/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13+,15+/m0/s1 OQRJYRPZPATIRR-RMRHIDDWBY 1α-(1-Oxo-2-methylpropyl)-3aα-methyl-7-methyleneoctahydroinden-4α-ol Teclenone A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(1'R,2S,4aR,5'S,5aR,7R,7aR,7bR,8R,10R,11aS,12aS,12bS,14aR)-1,1,5',7a,8,12a-hexamethyl-4'-oxo-2-{[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}hexadecahydro-2H-spiro[cyclopropa[1',8a']nap spiro[5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H),2'-[3,6]dioxabicyclo[3.1.0]hexan]-4'-one, 7-(acetyloxy)hexadecahydro-1,1,5',7a,8,12a-hexamethyl-2-(beta-D-xylopyranosyloxy)-, (1'R InChI=1/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h17,19-29,39-41H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28 KRKLOCQWMFXIPR-LXGWIAPYBZ (23R)-16β,23:24α,25-Diepoxy-12β-acetyloxy-9,19-cyclolanost-23α,26-olide-3-O-β-D-xylopyranoside 16β:23;24:25-Diepoxy-12β-O-acetyl-3β-hydroxy-9,19-cyclolanost-23,26-olide-O-β-D-xylopyranoside Cimiracemoside P . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 1,3,3,5-tetramethyl-2-oxo-octahydro-1,4-etheno-inden-7-yl ester 1,3,3,5-tetramethyl-2-oxooctahydro-1H-1,4-ethenoinden-7-yl acetate 1,4-etheno-2H-inden-2-one, 7-(acetyloxy)-1,3,3a,4,5,6,7,7a-octahydro-1,3,3,5-tetramethyl- InChI=1/C17H24O3/c1-9-8-12(20-10(2)18)14-13-11(9)6-7-17(14,5)15(19)16(13,3)4/h6-7,9,11-14H,8H2,1-5H3 WKNXSJLZTVTIGD-UHFFFAOYAY (1R,3S,4R,5S,10R,11R)-1-Acetyloxy-7-oxoprenops-8-ene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-(4-Methoxy-phenyl)-6,7-dimethyl-naphthalen-2-ol 8-(4-methoxyphenyl)-6,7-dimethyl-2-naphthol 2-naphthalenol, 8-(4-methoxyphenyl)-6,7-dimethyl- InChI=1/C19H18O2/c1-12-10-15-4-7-16(20)11-18(15)19(13(12)2)14-5-8-17(21-3)9-6-14/h4-11,20H,1-3H3 BNWLWHSOEPNZKN-UHFFFAOYAX 2,3-Dimethyl-4-(4-methoxyphenyl)-6-hydroxynaphthalene Megislignan . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(1R,3aR,4S,8aR,9aR,10aS,11aS)-9a-(hydroxymethyl)-1-(1-hydroxy-1-methylethyl)-3a-methyl-6-methylenedodecahydro-1H-cyclopenta[1,11]oxireno[4,5]cycloundeca[1,2-b]oxiren-4-yl rel-acetate (non-preferred na 1-cyclohexene-1-propanoic acid, beta,4-dihydroxy-2,6,6-trimethyl-, (betaS,4S)- InChI=1/C22H34O6/c1-13-6-7-16-21(12-23,27-16)11-18-22(28-18)15(19(3,4)25)8-9-20(22,5)17(10-13)26-14(2)24/h15-18,23,25H,1,6-12H2,2-5H3/t15-,16-,17+,18?,20-,21-,22-/m0/s1 WCNZILSICNGEAM-RBHXYHPTBR (1S,2R,7S,8R,10R,11R,12S)-2-Acetoxystolonidiol 2-Acetoxystolonidiol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydro-1H-benzo[j]fluoranthen-8-one 3-ethoxy-1,4,9-trihydroxy-2,3,6b,7-tetrahydrobenzo[j]fluoranthen-8(1H)-one benzo[j]fluoranthen-8(1H)-one, 3-ethoxy-2,3,6b,7-tetrahydro-1,4,9-trihydroxy- InChI=1/C22H20O5/c1-2-27-17-9-16(26)22-18-11-4-3-5-13(23)19(11)15(25)8-12(18)10-6-7-14(24)21(17)20(10)22/h3-7,12,16-17,23-24,26H,2,8-9H2,1H3 DSVFBOXMAJTYHV-UHFFFAOYAK 3-Ethoxy-1,4,9-trihydroxy-1,2,3,6b-tetrahydrobenzo[j]fluoranthen-8(7H)-one Hypoxylonol A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Hydroxy-4-{6-methoxy-5-[4-methyl-6-(2,6,6-trimethyl-cyclohex-2-enyl)-hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl}-5H-furan-2-one 5-hydroxy-4-{6-methoxy-5-[(3E)-4-methyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-3-en-1-yl]-3,6-dihydro-2H-pyran-2-yl}furan-2(5H)-one 2(5H)-furanone, 4-[(2R)-3,6-dihydro-6-methoxy-5-[(3E)-4-methyl-6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-hexenyl]-2H-pyran-2-yl]-5-hydroxy- InChI=1/C26H38O5/c1-17(11-13-21-18(2)9-7-15-26(21,3)4)8-6-10-19-12-14-22(30-25(19)29-5)20-16-23(27)31-24(20)28/h8-9,12,16,21-22,24-25,28H,6-7,10-11,13-15H2,1-5H3/b17-8+/t21?,22-,24?,25?/m1/s1 ROWRTPPXNRLNTJ-TZWFFOIQBG Luffariolide H . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxy-phenyl)-propan-1-one 2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one 1-propanone, 2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)- InChI=1/C11H14O6/c1-16-8-3-6(10(14)7(13)5-12)4-9(17-2)11(8)15/h3-4,7,12-13,15H,5H2,1-2H3 QJWLBLCJYZLCLM-UHFFFAOYAR 2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(2R,4aS,5aS,7S,7aS,7bS,8S,11aR,12aR)-1,1,7a,8,12a-pentamethyl-10-oxo-2-{[(2R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]oxy}octadecahydrocyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-7-yl rel- 5H-cyclopropa[1',8'a]naphth[2',1':4,5]indeno[2,1-b]pyran-10(2H)-one, 7-(acetyloxy)hexadecahydro-1,1,7a,8,12a-pentamethyl-2-[(1S)-pentopyranosyloxy]-, (2S,4aR,5aR,7R,7aR,7bR,11aS,12aS)- InChI=1/C33H50O9/c1-16-11-24(36)41-19-12-30(5)21-8-7-20-29(3,4)22(42-28-27(38)26(37)18(35)14-39-28)9-10-32(20)15-33(21,32)13-23(40-17(2)34)31(30,6)25(16)19/h16,18-23,25-28,35,37-38H,7-15H2,1-6H3/t16-,18?,19+,20?,21?,22+,23-,25+,26?,27?,28+,30+,31-,32-,33 RKTWPXXLEHCPIO-SVIXNCMWBV 12β-Acetoxy-3β-O-D-xylopyranosyloxy-24,25,26,27-tetranor-9,19-cyclolanost-16,23-lactone Cimilactone A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2aR,5aS,6S,9R,9bS,10S,12Z)-10-hydroxy-3,6,9,13-tetramethyl-2,2a,5a,6,7,9,9a,9b-octahydro-5H-2,9-pent[2]enofuro[2,3,4-ef][3]benzoxepin-5-one 2,9-[2]penteno-5H-furo[2,3,4-ef][3]benzoxepin-5-one, 2,2a,5a,6,7,9,9a,9b-octahydro-10-hydroxy-3,6,9,13-tetramethyl-, (2aS,5aR,6R,9S,9bR,10R,12Z)- InChI=1/C20H28O4/c1-10-5-6-15(22)20(4)19-18-16(12(3)9-23-20)13(21)8-11(2)17(18)14(7-10)24-19/h5,8,12,14-19,22H,6-7,9H2,1-4H3/b10-5-/t12-,14?,15+,16-,17-,18-,19?,20-/m0/s1 MZJQEVBIFVOTEZ-KORUJOSDBD Pachyclavulariaenone D . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(5beta,8alpha,9beta,10alpha)-16-hydroxy-18-oxokauran-17-yl (5beta,8alpha,9beta,10alpha,13alpha)-18-oxokauran-17-oate 2-propenoic acid, 3-phenyl-, (1S,2R,3R,5E,7Z)-9-amino-3-hydroxy-2-methyl-1-[(1R)-1-methylpropyl]-9-oxo-5,7-nonadienyl ester, (2E)- InChI=1/C40H60O5/c1-34(23-41)13-5-15-36(3)29(34)11-17-38-19-26(7-9-31(36)38)28(21-38)33(43)45-25-40(44)22-39-18-12-30-35(2,24-42)14-6-16-37(30,4)32(39)10-8-27(40)20-39/h23-24,26-32,44H,5-22,25H2,1-4H3/t26?,27?,28-,29-,30-,31+,32+,34+,35+,36-,37-,38+,39+, SAUDOPUDLXLFLB-URUGQHRABG 16β-Hydroxy-19-al-ent-kauran-17-yl 16β-hydro-19-al-ent-kauran-17-oate Annomosin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Phenyl-acrylic acid 1-sec-butyl-8-carbamoyl-3-hydroxy-2-methyl-octa-5,7-dienyl ester (1R,2S,3S,5E,7Z)-9-amino-3-hydroxy-2-methyl-1-[(1S)-1-methylpropyl]-9-oxonona-5,7-dien-1-yl rel-(2E)-3-phenylacrylate 2-propenoic acid, 3-phenyl-, (1S,2R,3R,5E,7Z)-9-amino-3-hydroxy-2-methyl-1-[(1R)-1-methylpropyl]-9-oxo-5,7-nonadienyl ester, (2E)- InChI=1/C23H31NO4/c1-4-17(2)23(18(3)20(25)13-9-6-10-14-21(24)26)28-22(27)16-15-19-11-7-5-8-12-19/h5-12,14-18,20,23,25H,4,13H2,1-3H3,(H2,24,26)/b9-6+,14-10-,16-15+/t17-,18-,20-,23+/m1/s1 QAHZDGAHECEVRM-HXKCHMFGBU (7S,8S,9R,10R)-Basiliskamide A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-[(2-Isopropyl-5-methylphenoxy)acetyl]-N-phenylhydrazine Carbothioamide 2-(2-isopropyl-5-methylphenoxy)-N'-(phenylcarbonothioyl)acetohydrazide acetic acid, [5-methyl-2-(1-methylethyl)phenoxy]-, 2-(phenylthioxomethyl)hydrazide InChI=1/C19H22N2O2S/c1-13(2)16-10-9-14(3)11-17(16)23-12-18(22)20-21-19(24)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3,(H,20,22)(H,21,24) ZURLNDLMALZJTJ-UHFFFAOYAM 2-[(2-Isopropyl-5-methylphenoxy)acetyl]-N-phenylhydrazine Carbothioamide . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(3beta,16beta)-16-[(2-O-acetyl-3-O-pentopyranosylpentopyranosyl)oxy]-17-hydroxy-22-oxocholest-5-en-3-yl 6-O-hexopyranosylhexopyranoside cholest-5-en-22-one, 16-[(2-O-acetyl-3-O-pentopyranosylpentopyranosyl)oxy]-3-[(6-O-hexopyranosylhexopyranosyl)oxy]-17-hydroxy-, (3beta,16beta)- InChI=1/C51H82O23/c1-21(2)7-10-29(54)22(3)51(65)34(73-48-44(69-23(4)53)43(31(56)19-67-48)74-46-40(62)35(57)30(55)18-66-46)16-28-26-9-8-24-15-25(11-13-49(24,5)27(26)12-14-50(28,51)6)70-47-42(64)39(61)37(59)33(72-47)20-68-45-41(63)38(60)36(58)32(17-52)71-4 GFFVWOXSIXOPIH-HKEYCVJABU 3β-[(O-β-D-glucopyranosyl-(1->6)-β-D-glucopyranosyl)oxy]-17α-hydroxy-16β-[(O-β-D-xylopyranosyl-(1->3)-2-O-acetyl-α-L-arabinopyranosyl)oxy]-cholest-5-en-22-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3,4-Bis-benzo[1,3]dioxol-5-ylmethyl-5-methoxy-dihydro-furan-2-one rel-(3R,4R,5S)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-5-methoxydihydrofuran-2(3H)-one 2(3H)-furanone, 3,4-bis(1,3-benzodioxol-5-ylmethyl)dihydro-5-methoxy-, (3R,4R,5S)- InChI=1/C21H20O7/c1-23-21-15(7-13-3-5-17-19(9-13)27-11-25-17)14(20(22)28-21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9,14-15,21H,6-7,10-11H2,1H3/t14-,15-,21+/m1/s1 HBOUIMWCFJKPNL-PZPWOCDFBK Aristelegin-A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(3beta,5xi,9xi,16alpha,18xi,21beta,22alpha)-16,21-bis(acetyloxy)-28-hydroxy-22-[(3-methylbutanoyl)oxy]olean-12-en-3-yl 4-O-(6-deoxyhexopyranosyl)hexopyranosiduronic acid butanoic acid, 3-methyl-, (3beta,5xi,9xi,16alpha,18xi,21beta,22alpha)-16,21-bis(acetyloxy)-3-[[4-O-(6-deoxyhexopyranosyl)hexopyranuronosyl]oxy]-28-hydroxyolean-12-en-22-yl ester InChI=1/C51H80O18/c1-23(2)19-33(55)67-42-41(65-26(5)54)46(6,7)20-28-27-13-14-30-48(10)17-16-31(47(8,9)29(48)15-18-49(30,11)50(27,12)21-32(64-25(4)53)51(28,42)22-52)66-45-38(60)36(58)39(40(69-45)43(61)62)68-44-37(59)35(57)34(56)24(3)63-44/h13,23-24,28-32, VSOSBHMIXNTQPQ-WAUKJLRPBN 3-O-{α-L-rhamnopyranosyl(1->4)-β-D-glucuronopyranosyl}-16,21-di-O-acetyl-22-O-isovaleroylbarringtogenol C . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Hydroxy-7-methyl-5-(3-phenyl-acryloyloxy)-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydro-cyclopenta[c]pyran-4-carboxylic acid methyl ester methyl rel-(1R,4aR,5R,6S,7R,7aS)-1-(hexopyranosyloxy)-6-hydroxy-7-methyl-5-{[(2E)-3-phenylprop-2-enoyl]oxy}-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propenyl]oxy]-, methyl ester, (1S,4aS,5S,6R,7S,7aR)- InChI=1/C26H32O12/c1-12-17-18(23(19(12)29)37-16(28)9-8-13-6-4-3-5-7-13)14(24(33)34-2)11-35-25(17)38-26-22(32)21(31)20(30)15(10-27)36-26/h3-9,11-12,15,17-23,25-27,29-32H,10H2,1-2H3/b9-8+/t12-,15?,17+,18+,19+,20?,21?,22?,23-,25-,26?/m0/s1 AWXRMPBTOKZHBB-WHQAAWHZBC 6-Cinnamoyl-5-deoxypulchelloside I Caudatoside A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

{2-[6-Bromo-2-(1,1-dimethyl-allyl)-1H-indol-3-yl]-ethyl}-methyl-amine 2-[6-bromo-2-(1,1-dimethylprop-2-en-1-yl)-1H-indol-3-yl]-N-methylethanamine 1H-indole-3-ethanamine, 6-bromo-2-(1,1-dimethyl-2-propenyl)-N-methyl- InChI=1/C16H21BrN2/c1-5-16(2,3)15-13(8-9-18-4)12-7-6-11(17)10-14(12)19-15/h5-7,10,18-19H,1,8-9H2,2-4H3 GQHSCJUTJKLZPX-UHFFFAOYAZ Deformylflustrabromine N-(2-[6-bromo-2(1,1-dimethyl-2-propenyl)-1H-indol-3-yl]ethyl)-N-methylamine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,3-Dihydroxy-8-methyl-8,9,10,11-tetrahydro-5H-7-oxa-benzocyclodecene-6,12-dione 9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-2H-3-benzoxecine-2,8(1H)-dione 2H-3-benzoxecin-2,8(1H)-dione, 4,5,6,7-tetrahydro-9,11-dihydroxy-4-methyl- InChI=1/C14H16O5/c1-8-3-2-4-11(16)14-9(6-13(18)19-8)5-10(15)7-12(14)17/h5,7-8,15,17H,2-4,6H2,1H3 AQNZLWYQYFPMBX-UHFFFAOYAE Xestodecalactone A . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(2,6-Dihydroxy-4-methoxy-phenyl)-[4-methyl-5-(3-methyl-but-2-enyl)-6-phenyl-cyclohex-3-enyl]-methanone rel-(2,6-dihydroxy-4-methoxyphenyl)[(1R,5S,6R)-4-methyl-5-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-en-1-yl]methanone methanone, (2,6-dihydroxy-4-methoxyphenyl)[(1R,5S,6R)-4-methyl-5-(3-methyl-2-butenyl)-6-phenyl-3-cyclohexen-1-yl]- InChI=1/C26H30O4/c1-16(2)10-12-20-17(3)11-13-21(24(20)18-8-6-5-7-9-18)26(29)25-22(27)14-19(30-4)15-23(25)28/h5-11,14-15,20-21,24,27-28H,12-13H2,1-4H3/t20-,21-,24-/m1/s1 CIQQYRZTKOGULG-PQNGQFLHBV (1'R*,2'S*,6'R*)-(2,6-Dihydroxy-4-methoxyphenyl)-(3'-methyl-1'-phenyl-2'-prenylcyclohex-3'-enyl)methanone (±)-Nicolaioidesin B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 3-[16-(3-acetoxy-5-hydroxy-phenyl)-hexadec-8-enyl]-5-hydroxy-phenyl ester (8Z)-hexadec-8-ene-1,16-diylbis-5-hydroxy-3,1-phenylene diacetate 1,3-benzenediol, 5,5'-[(8Z)-8-hexadecene-1,16-diyl]bis-, diacetate InChI=1/C32H44O6/c1-25(33)37-31-21-27(19-29(35)23-31)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-28-20-30(36)24-32(22-28)38-26(2)34/h3-4,19-24,35-36H,5-18H2,1-2H3/b4-3- KKAFTGMKZVJNPP-ARJAWSKDBT (8'Z)-1-Acetoxy-3-hydroxy-5-[16'-(3''-acetoxy-5''-hydroxyphenyl)-8'-hexadecen-1'-yl]benzene Oncostemonol A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-{7-Isopropenyl-3a,6,9b-trimethyl-3-[1-methyl-2-(4-methyl-5-oxo-tetrahydro-furan-2-yl)-ethyl]-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-6-yl}-propionic acid methyl ester methyl rel-3-((3R,3aR,5aS,6S,7S,9bR)-7-isopropenyl-3a,6,9b-trimethyl-3-{(1R)-1-methyl-2-[(2R,4R)-4-methyl-5-oxotetrahydrofuran-2-yl]ethyl}-2,3,3a,4,5,5a,6,7,8,9b-decahydro-1H-cyclopenta[a]naphthalen-6 1H-benz[e]indene-6-propanoic acid, 2,3,3a,4,5,5a,6,7,8,9b-decahydro-3a,6,9b-trimethyl-7-(1-methylethenyl)-3-[1-methyl-2-[(2R,4R)-tetrahydro-4-methyl-5-oxo-2-furanyl]ethyl]-, methyl ester, (3R,3aR,5aS, InChI=1/C31H48O4/c1-19(2)23-9-10-26-25(29(23,5)14-13-27(32)34-8)12-16-30(6)24(11-15-31(26,30)7)20(3)17-22-18-21(4)28(33)35-22/h10,20-25H,1,9,11-18H2,2-8H3/t20-,21-,22-,23+,24-,25-,29+,30-,31+/m1/s1 IIPIWCJQGIFRHH-CVMHBQFTBR Methyl (23R,25R)-3,4-seco-9βH-lanosta-4(28),7-dien-26,23-olid-3-oate Methyl abiesolidate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-{4-[2-(acetylamino)ethyl]-2,6-dibromophenoxy}-2-(trimethylammonio)butanoate 1-propanaminium, 3-[4-[2-(acetylamino)ethyl]-2,6-dibromophenoxy]-1-carboxy-N,N,N-trimethyl-, inner salt, (1R)- InChI=1/C17H24Br2N2O4/c1-11(22)20-7-5-12-9-13(18)16(14(19)10-12)25-8-6-15(17(23)24)21(2,3)4/h9-10,15H,5-8H2,1-4H3,(H-,20,22,23,24)/t15-/m1/s1 YHNIEBZNGPLHJU-OAHLLOKOBA Nakirodin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Carbamic acid 3,9,13-trihydroxy-14-(4-hydroxy-3,5-dimethyl-6-oxo-tetrahydro-pyran-2-yl)-2,4,6,8,10-pentamethyl-1-(1-methyl-penta-2,4-dienyl)-tetradeca-6,11-dienyl ester (1R,2R,3S,4R,6Z,8R,9R,10R,11Z,13R)-3,9,13-trihydroxy-14-[(2R,3S,4R,5S)-4-hydroxy-3,5-dimethyl-6-oxotetrahydro-2H-pyran-2-yl]-2,4,6,8,10-pentamethyl-1-[(1R,2Z)-1-methylpenta-2,4-dien-1-yl]tetradeca-6,1 disulfide, 1-methylpropyl (2E)-3-(methylsulfinyl)-2-propenyl InChI=1/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,3 AADVCYNFEREWOS-OBRABYBLBY Discodermolide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N,N'-Bis-(2,2,6-trimethyl-chroman-4-ylidene)-hydrazine 2,2,6-trimethyl-2,3-dihydro-4H-chromen-4-one (2,2,6-trimethyl-2,3-dihydro-4H-chromen-4-ylidene)hydrazone (non-preferred name) InChI=1/C24H28N2O2/c1-15-7-9-21-17(11-15)19(13-23(3,4)27-21)25-26-20-14-24(5,6)28-22-10-8-16(2)12-18(20)22/h7-12H,13-14H2,1-6H3 AFTOQEMNUXGPLZ-UHFFFAOYAM Limnazine N,N'-Bis(2,2,6-trimethylchroman-4-ylidene)azine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(3-Methanesulfinyl-allyldisulfanyl)-butane sec-butyl (2E)-3-(methylsulfinyl)prop-2-en-1-yl disulfide disulfide, 1-methylpropyl (2E)-3-(methylsulfinyl)-2-propenyl InChI=1/C8H16OS3/c1-4-8(2)11-10-6-5-7-12(3)9/h5,7-8H,4,6H2,1-3H3/b7-5+ MRLXFQWCSNFUCF-FNORWQNLBQ (E)-3-Methylsulfinyl-2-propenyl sec-butyl disulfide Foetisulfide A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-[6-Methyl-2-(7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydro-naphthalen-1-yl)-hept-5-enyloxy]-tetrahydro-pyran-3,4,5-triol (2R)-6-methyl-2-[(1S,4aR,8aS)-7-methyl-4-methylene-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]hept-5-en-1-yl rel-pentopyranoside pentopyranoside, (2S)-6-methyl-2-[(1R,4aS,8aR)-1,2,3,4,4a,5,6,8a-octahydro-7-methyl-4-methylene-1-naphthalenyl]-5-heptenyl InChI=1/C25H40O5/c1-15(2)6-5-7-18(13-29-25-24(28)23(27)22(26)14-30-25)20-11-9-17(4)19-10-8-16(3)12-21(19)20/h6,12,18-28H,4-5,7-11,13-14H2,1-3H3/t18-,19-,20+,21-,22?,23?,24?,25?/m1/s1 YSKUIUKSUFDDDK-WHPYSAROBN Lemnaflavoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(3R,3aR,5aS,8R,9R,9aS)-9-(hydroxymethyl)-3-isopropyl-3a,8-dimethyldecahydro-5a,8-epoxycyclopenta[a]naphthalen-9a(1H)-ol 5a,8-epoxy-5aH-benz[e]indene-9-methanol, dodecahydro-9a-hydroxy-3a,8-dimethyl-3-(1-methylethyl)-, (3S,3aS,5aR,8S,9S,9aR)- InChI=1/C19H32O3/c1-12(2)13-5-6-14-16(13,3)7-9-18-10-8-17(4,22-18)15(11-20)19(14,18)21/h12-15,20-21H,5-11H2,1-4H3/t13-,14?,15+,16-,17-,18+,19+/m0/s1 AYLBIXSXMOMHSY-QCEMICHIBY Yaretol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-cyclohex-1-enyl)-henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-21-(2,6,6-trimethylcyclohex-1-en-1-yl)henicosa-2,4,6,8,10,12,14,16,18,20-decaenoic acid 2,4,6,8,10,12,14,16,18,20-heneicosadecaenoic acid, 2,6,10,15,19-pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)- InChI=1/C35H46O2/c1-27(17-11-19-29(3)21-13-22-32(6)34(36)37)15-9-10-16-28(2)18-12-20-30(4)24-25-33-31(5)23-14-26-35(33,7)8/h9-13,15-22,24-25H,14,23,26H2,1-8H3,(H,36,37)/b10-9+,17-11+,18-12+,21-13+,25-24+,27-15+,28-16+,29-19+,30-20+,32-22+ UGJYMKZYSUMAKJ-ZGMBEONKBY 4'-apo-β-caroten-4'-oic acid Neurosporaxanthin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

9,18-Dibenzyl-6,15-di-sec-butyl-4,13-dimethyl-1,10-dioxa-4,7,13,16-tetraaza-cyclooctadecane-2,5,8,11,14,17-hexaone rel-(6R,9S,15R,18S)-9,18-dibenzyl-4,13-dimethyl-6,15-bis[(1S)-1-methylpropyl]-1,10-dioxa-4,7,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone 1,10-dioxa-4,7,13,16-tetraazacyclooctadecane-2,5,8,11,14,17-hexone, 4,13-dimethyl-6,15-bis[(1R)-1-methylpropyl]-9,18-bis(phenylmethyl)-, (6S,9R,15S,18R)- InChI=1/C36H48N4O8/c1-7-23(3)31-35(45)39(5)21-29(41)48-28(20-26-17-13-10-14-18-26)34(44)38-32(24(4)8-2)36(46)40(6)22-30(42)47-27(33(43)37-31)19-25-15-11-9-12-16-25/h9-18,23-24,27-28,31-32H,7-8,19-22H2,1-6H3,(H,37,43)(H,38,44)/t23-,24-,27-,28-,31+,32+/m1/ PMRINUPHTRWJOC-BZPSDGNJBQ Hirsutellide A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-Isopropyl-1,4a-dimethyl-6-oxo-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid methyl ester methyl (5xi,9xi)-12-oxoabieta-7,13-dien-18-oate 1-phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-6-oxo-, methyl ester, (1R,4aR)- InChI=1/C21H30O3/c1-13(2)15-11-14-7-8-18-20(3,16(14)12-17(15)22)9-6-10-21(18,4)19(23)24-5/h7,11,13,16,18H,6,8-10,12H2,1-5H3/t16?,18?,20-,21-/m1/s1 JFKPEMNHSCWNKT-JBBFKITRBF Methyl 12-oxoabietate Methyl[1R-(1α,4aβ,4bα,10aα)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-6-oxo-1,4a-dimethyl-7-(1-methylethyl)phenanthrene-1-carboxylate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-Aza-bicyclo[3.2.1]octane-3,6-diol rel-(1R,3R,5S,6R)-8-azabicyclo[3.2.1]octane-3,6-diol 8-azabicyclo[3.2.1]octane-3,6-diol, (1R,3R,5S,6R)- InChI=1/C7H13NO2/c9-5-1-4-2-7(10)6(3-5)8-4/h4-10H,1-3H2/t4-,5-,6+,7-/m1/s1 MVUIPZFMWQBRCM-MVIOUDGNBN (±)-3α,7β-Dihydroxynortropane . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-(3,4-Dimethoxy-phenyl)-6-(4-methoxy-phenyl)-1,2,3,5,8,8a-hexahydro-indolizine 7-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine indolizine, 7-(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydro-6-(4-methoxyphenyl)-, (8aR)- InChI=1/C23H27NO3/c1-25-19-9-6-16(7-10-19)21-15-24-12-4-5-18(24)14-20(21)17-8-11-22(26-2)23(13-17)27-3/h6-11,13,18H,4-5,12,14-15H2,1-3H3/t18-/m1/s1 WOAHFBLGXWXVSL-GOSISDBHBN (-)-(R)-13aα-Secoantofine (-)-13aα-Secoantofine (R)-6-(4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-1,2,3,5,8,8a-hexahydroindolizine O,O-Dimethylphyllostemine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17-(1,5-Dihydroxy-1,5-dimethyl-hexyl)-2,3,11,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-6-one (2beta,3beta,5beta,9xi,11alpha)-2,3,11,14,20,25-hexahydroxycholest-7-en-6-one cholest-7-en-6-one, 2,3,11,14,20,25-hexahydroxy-, (2beta,3beta,5beta,9xi,11alpha)- InChI=1/C27H44O7/c1-23(2,32)8-6-9-26(5,33)21-7-10-27(34)16-12-17(28)15-11-18(29)19(30)13-24(15,3)22(16)20(31)14-25(21,27)4/h12,15,18-22,29-34H,6-11,13-14H2,1-5H3/t15-,18+,19-,20+,21-,22?,24-,25+,26?,27+/m0/s1 FVSMKJPPJCYAQL-WWDTXHDRBT Scabrasterone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 2a,4,4,7-tetramethyl-1-oxo-1,2a,3,4,4a,5,6,7-octahydro-2-oxa-cyclopenta[cd]inden-5-yl ester (3R,5S,5aS,7aR)-3,6,6,7a-tetramethyl-2-oxo-2,3,4,5,5a,6,7,7a-octahydroindeno[1,7-bc]furan-5-yl rel-acetate indeno[1,7-bc]furan-2(3H)-one, 5-(acetyloxy)-4,5,5a,6,7,7a-hexahydro-3,6,6,7a-tetramethyl-, (3R,5S,5aS,7aR)- InChI=1/C16H22O4/c1-8-6-10(19-9(2)17)12-13-11(8)14(18)20-16(13,5)7-15(12,3)4/h8,10,12H,6-7H2,1-5H3/t8-,10+,12-,16-/m1/s1 OMZUEHMZFLBHNI-PCKWUFTNBC Norbotrydialone acetate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(4Z,12R,14R,21Z,29R,30S)-1,16-diazatetracyclo[27.3.1.1~12,16~.0~14,30~]tetratriaconta-4,21-diene (non-preferred name) 4H-1-benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethyl- InChI=1/C32H56N2/c1-2-5-10-14-18-23-34-26-29-19-15-11-7-4-6-9-13-17-22-33-24-21-32(31(25-29)28-34)30(27-33)20-16-12-8-3-1/h2,5,9,13,29-32H,1,3-4,6-8,10-12,14-28H2/b5-2-,13-9-/t29-,30+,31+,32+/m1/s1 YWSKQTXNGIVXSX-QNFDIZICBG (2R*,3S*,7R*,9R*)Halichondramine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,7-Dihydroxy-3-(4-hydroxy-phenyl)-6,8-dimethyl-chromen-4-one 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-4-one 4H-1-benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethyl- InChI=1/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3 VSEIMGCATUFLSE-UHFFFAOYAL 4',5,7-Trihydroxy-6,8-dimethylisoflavone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

11-Hydroxy-17-(1-hydroxy-1,5-dimethyl-hex-4-enyl)-4,4,8,10,14-pentamethyl-hexadecahydro-cyclopenta[a]phenanthren-3-one (11alpha,20R)-11,20-dihydroxydammar-24-en-3-one dammar-24-en-3-one, 11,20-dihydroxy-, (11alpha,20R)- InChI=1/C30H50O3/c1-19(2)10-9-14-30(8,33)20-11-16-28(6)21(20)18-22(31)25-27(5)15-13-24(32)26(3,4)23(27)12-17-29(25,28)7/h10,20-23,25,31,33H,9,11-18H2,1-8H3/t20-,21+,22+,23-,25+,27-,28+,29+,30+/m0/s1 QFFYREQVSNSSTO-DQTYNPBSBZ (11R,20R)-11,20-Dihydroxy-24-dammaren-3-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(2-Hydroxymethyl-4-methoxy-phenyl)-6-methoxy-3H-quinazolin-4-one 3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxyquinazolin-4(3H)-one 4(3H)-quinazolinone, 3-[2-(hydroxymethyl)-4-methoxyphenyl]-6-methoxy- InChI=1/C17H16N2O4/c1-22-12-4-6-16(11(7-12)9-20)19-10-18-15-5-3-13(23-2)8-14(15)17(19)21/h3-8,10,20H,9H2,1-2H3 SHUSJJZZTZAKPD-UHFFFAOYAC 3-(2-Hydroxymethyl-4-methoxyphenyl)-6-methoxyl-4-quinazolinone Dictyoquinazol A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(3-Hydroxy-2,4-dimethoxy-phenyl)-8-(3-methyl-but-2-enyl)-chroman-7-ol 3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methylbut-2-en-1-yl)chroman-7-ol 2H-1-benzopyran-7-ol, 3,4-dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-, (3R)- InChI=1/C22H26O5/c1-13(2)5-7-17-18(23)9-6-14-11-15(12-27-21(14)17)16-8-10-19(25-3)20(24)22(16)26-4/h5-6,8-10,15,23-24H,7,11-12H2,1-4H3/t15-/m0/s1 WEMQLGFQFNBABO-HNNXBMFYBG (R)-3,4-Dihydro-3-(3-hydroxy-2,4-dimethoxyphenyl)-8-(3-methyl-2-butenyl)-2H-1-benzopyran-7-ol (R)-8-Prenylmucronulatol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(1,2-Dimethyl-propyl)-2,4a,7,7,10a,12a-hexamethyl-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydro-chrysene-1,9-dicarboxylic acid 9-methyl ester rel-(1R,2R,4aS,6aR,8S,9R,10aS,12aS)-2-(1,2-dimethylpropyl)-9-(methoxycarbonyl)-2,4a,7,7,10a,12a-hexamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1,2,3,4,4a,5,6,6a,7,8,9,1 alpha-L-arabinopyranoside, (1S,2R,4aR,6aS,6bR,10S,12aR)-hexadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propenyl)-4a,6a-methano-1H,6H-phenanthro[2,1-d]pyrano[2,3-b]pyran-10-yl 3-O-(6-O- InChI=1/C38H62O10/c1-19(2)20(3)35(6)15-16-37(8)23-11-12-25-34(4,5)30(48-33-28(42)27(41)26(40)24(18-39)47-33)21(32(45)46-10)17-36(25,7)22(23)13-14-38(37,9)29(35)31(43)44/h19-21,24-30,33,39-42H,11-18H2,1-10H3,(H,43,44)/t20?,21-,24?,25+,26?,27?,28?,29-,30+, VAULMUOCCMYLIA-ZAUMYINBBM Fuscoatroside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

{(3R,4R,5S,6R)-6-[((2R,3S,4R,5R)-3,5-dihydroxy-2-{[(1R,2S,7R,10S,16R,17S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0~1,14~.0~2,11~.0~5,10~.0~15,20 InChI=1/C41H66O16S/c1-20(2)14-21-15-52-41-18-40(19-53-41)22(33(41)39(21,7)47)8-9-26-37(5)12-11-27(36(3,4)25(37)10-13-38(26,40)6)56-34-31(46)32(23(42)16-51-34)57-35-30(45)29(44)28(43)24(55-35)17-54-58(48,49)50/h14,21-35,42-47H,8-13,15-19H2,1-7H3,(H,48,49, JZAZJIXVJNAOQD-IGFSJTBJBM 3-O-[6-O-sulfonyl-β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl pseudojujubogenin Bacopaside III . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

{6-[(3-{[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy}-5-hydroxy-2-{[(1R,2S,7R,10S,16R,17S,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-methylprop-1-en-1-yl)-19,21-dioxahexacyclo[18.2.1.0~ pentopyranoside, (1S,2R,4aR,6aS,6bR,10S,12aR)-hexadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propenyl)-4a,6a-methano-1H,6H-phenanthro[2,1-d]pyrano[2,3-b]pyran-10-yl O-pentofuranosyl-(1 InChI=1/C46H74O20S/c1-21(2)14-22-16-59-46-19-45(20-60-46)23(37(46)44(22,7)54)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)64-40-36(66-38-33(52)30(49)25(15-47)62-38)35(24(48)17-58-40)65-39-34(53)32(51)31(50)26(63-39)18-61-67(55,56)57/h14,22-40,47-54 SKFWOYHZBNAJGA-HFBHGGSHBV 3-O-α-L-arabinofuranosyl-(1->2)-[6-O-sulphonyl-β-D-glucopyranosyl-(1->3)]-α-L-arabinopyranosyl pseudojujubogenin Bacopaside I . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(2E)-3-[(2R,3S)-3-[(benzoyloxy)methyl]-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-yl rel-benzoate 3-benzofuranmethanol, 5-[(1E)-3-(benzoyloxy)-1-propenyl]-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-, alpha-benzoate, (2R,3S)- InChI=1/C34H30O8/c1-38-29-20-25(15-16-28(29)35)31-27(21-41-34(37)24-13-7-4-8-14-24)26-18-22(19-30(39-2)32(26)42-31)10-9-17-40-33(36)23-11-5-3-6-12-23/h3-16,18-20,27,31,35H,17,21H2,1-2H3/b10-9+/t27-,31+/m1/s1 VSDDOTKKJQUPSV-YOFHCTMFBB Dehydrodiconiferyl alcohol dibenzoate E-3-[3-Benzoyloxymethyl-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]propenyl benzoate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-(3-Carboxy-but-2-enyl)-1,4a-dimethyl-6-methylene-decahydro-naphthalene-1-carboxylic acid rel-(1R,4aS,5R)-5-[(2E)-3-carboxybut-2-en-1-yl]-1,4a-dimethyl-6-methylenedecahydronaphthalene-1-carboxylic acid 1-naphthalenecarboxylic acid, 5-[(2E)-3-carboxy-2-butenyl]decahydro-1,4a-dimethyl-6-methylene-, (1S,4aR,5S)- InChI=1/C19H28O4/c1-12-7-9-15-18(3,10-5-11-19(15,4)17(22)23)14(12)8-6-13(2)16(20)21/h6,14-15H,1,5,7-11H2,2-4H3,(H,20,21)(H,22,23)/b13-6+/t14-,15?,18+,19-/m0/s1 JXHQWTYFUSHCGX-IYYXOPAVBW 15-nor-Labda-8(17),12E-dien-13,19-dienoic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3,9,12b-Trihydroxy-5,6,6a,6b,7,12b-hexahydro-benzo[j]fluoranthene-4,8-dione rel-(6aR,6bS,12bR)-3,9,12b-trihydroxy-5,6,6a,6b,7,12b-hexahydrobenzo[j]fluoranthene-4,8-dione benzo[j]fluoranthene-4,8-dione, 5,6,6a,6b,7,12b-hexahydro-3,9,12b-trihydroxy-, (6aR,6bS,12bR)- InChI=1/C20H16O5/c21-13-3-1-2-10-18(13)16(24)8-12-9-4-6-14(22)19-15(23)7-5-11(17(9)19)20(10,12)25/h1-3,5,7,9,12,21,23,25H,4,6,8H2/t9-,12+,20+/m1/s1 OYRYUFABCKQXTO-HGCCHXFOBV 2,10,14-Trihydroxy-9,19:10,11-bis-7,16-tetralone Daldinone A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Hydroxymethyl-5-methyl-hexahydro-pyrrolizine-1,2-diol rel-(1R,2S,3R,5R,7aS)-3-(hydroxymethyl)-5-methylhexahydro-1H-pyrrolizine-1,2-diol 1H-pyrrolizine-1,2-diol, hexahydro-3-(hydroxymethyl)-5-methyl-, (1S,2R,3S,5S,7aR)- InChI=1/C9H17NO3/c1-5-2-3-6-8(12)9(13)7(4-11)10(5)6/h5-9,11-13H,2-4H2,1H3/t5-,6+,7-,8-,9+/m0/s1 AGLLYYHKZWZSKX-QKAWAISNBR (1S*,2R*,3S*,5S*,7a*R)-1,2-dihydroxy-3-hydroxymethyl-5-methylpyrrolizidine Hyacinthacine A4 . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-(1,3-Dimethoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydro-cyclonona[c]pyran-4-ylidene)-2-methyl-pent-3-en-2-ol rel-(3E,5E)-5-[(1R,3R,4aR,11aS)-1,3-dimethoxy-7-methyl-11-methylene-1,4a,5,6,9,10,11,11a-octahydrocyclonona[c]pyran-4(3H)-ylidene]-2-methylpent-3-en-2-ol 3-penten-2-ol, 2-methyl-5-[(1S,3S,4aS,11aR)-1,4a,5,6,9,10,11,11a-octahydro-1,3-dimethoxy-7-methyl-11-methylenecyclonona[c]pyran-4(3H)-ylidene]-, (3E,5E)- InChI=1/C22H34O4/c1-15-9-7-10-16(2)19-17(13-12-15)18(11-8-14-22(3,4)23)20(24-5)26-21(19)25-6/h8-9,11,14,17,19-21,23H,2,7,10,12-13H2,1,3-6H3/b14-8+,15-9+,18-11+/t17-,19+,20+,21+/m1/s1 FQSNNBZYQHKNDZ-AQUXDQNHBL Xenibecin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3,6,9-Trimethyl-3a,5,9a,9b-tetrahydro-3H-azuleno[4,5-b]furan-2,4,7-trione rel-(3aR,9aS,9bR)-3,6,9-trimethyl-3a,5,9a,9b-tetrahydroazuleno[4,5-b]furan-2,4,7(3H)-trione azuleno[4,5-b]furan-2,4,7(3H)-trione, 3a,5,9a,9b-tetrahydro-3,6,9-trimethyl-, (3aS,9aR,9bS)- InChI=1/C15H16O4/c1-6-4-10(17)13-8(3)15(18)19-14(13)12-7(2)5-9(16)11(6)12/h5,8,12-14H,4H2,1-3H3/t8?,12-,13-,14+/m1/s1 JFFMMLPJMYOOOM-SZOLOFBOBW Ferupennin O . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

16-Hydroxy-17-(5-hydroxy-1,5-dimethyl-hex-3-enyl)-4,4,10,13,14-pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (13alpha,14beta,16beta,17alpha,23E)-16,25-dihydroxylanosta-7,23-dien-3-one lanosta-7,23-dien-3-one, 16,25-dihydroxy-, (13alpha,14beta,16beta,17alpha,23E)- InChI=1/C30H48O3/c1-19(10-9-15-26(2,3)33)25-22(31)18-30(8)21-11-12-23-27(4,5)24(32)14-16-28(23,6)20(21)13-17-29(25,30)7/h9,11,15,19-20,22-23,25,31,33H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,28-,29+,30-/m1/s1 OYVJTMFTUKBWID-LKJGIETFBD Meliastatin 1 . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2aR,4S,4aR,9S,10bR,10cR)-4-hydroxy-9-isopropenyl-4-methyl-2a,3,4,4a,6,8,9,10,10b,10c-decahydro-1H-cyclohepta[5,6]indeno[1,7-bc]furan-1,5,7-trione 1H-cyclohept[5,6]indeno[1,7-bc]furan-1,5,7-trione, 2a,3,4,4a,6,8,9,10,10b,10c-decahydro-4-hydroxy-4-methyl-9-(1-methylethenyl)-, (2aR,4S,4aR,9S,10bR,10cR)- InChI=1/C19H22O5/c1-8(2)9-4-10(20)6-12-11(5-9)14-15-13(24-18(14)22)7-19(3,23)16(15)17(12)21/h9,13-16,23H,1,4-7H2,2-3H3/t9-,13-,14+,15+,16+,19+/m1/s1 IIISAONBGZMBOM-VVWFSPNEBN Scabrolide A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(6R,6aR,8R,8aS,9R)-4,6,7,8b,9a-pentahydroxy-7-isopropyl-3,6a-dimethyl-8-[(1H-pyrrol-2-ylcarbonyl)oxy]decahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-9(2H)-carboxylic acid 1H-pyrrole-2-carboxylic acid, (6S,6aS,8S,8aR,9S)-9-carboxydodecahydro-4,6,7,8b,9a-pentahydroxy-3,6a-dimethyl-7-(1-methylethyl)-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl ester InChI=1/C25H33NO10/c1-11(2)23(33)16(35-17(28)13-6-5-9-26-13)14-20(18(29)30)10-22(32)19(23,4)24(14,34)25(36-22)15(27)12(3)7-8-21(20,25)31/h5-6,9,11-12,14-16,26-27,31-34H,7-8,10H2,1-4H3,(H,29,30)/t12?,14-,15?,16-,19-,20+,21?,22-,23?,24?,25?/m0/s1 VVHTVGNTAPUUGX-JVSCOMFLBR 20-Norspiganthine-5-carboxylic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-[5,7-Dihydroxy-2-(4-methoxy-phenyl)-4-oxo-4H-chromen-8-yloxy]-3,4,5-trihydroxy-tetrahydro-pyran-2-carboxylic acid butyl ester butyl 5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl beta-glucopyranosiduronate 4H-1-benzopyran-4-one, 8-[(6-butyl-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)- InChI=1/C26H28O12/c1-3-4-9-35-25(33)24-20(31)19(30)21(32)26(38-24)37-22-16(29)10-14(27)18-15(28)11-17(36-23(18)22)12-5-7-13(34-2)8-6-12/h5-8,10-11,19-21,24,26-27,29-32H,3-4,9H2,1-2H3/t19-,20-,21+,24-,26+/m0/s1 NSUHKBNUFZSKRR-BXXVLEOKBR Isoscutellarein 4'-methyl ether 8-O-β-D-glucuronide 6''-n-butyl ester . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl 2,4-di-O-sulfonato-beta-glucopyranosiduronic acid 4H-1-benzopyran-4-one, 8-[(2,4-di-O-sulfo-beta-D-glucopyranuronosyl)oxy]-5,7-dihydroxy-2-(4-methoxyphenyl)-, ion(2-) InChI=1/C22H20O18S2/c1-35-9-4-2-8(3-5-9)13-7-11(24)14-10(23)6-12(25)16(17(14)36-13)37-22-19(40-42(32,33)34)15(26)18(39-41(29,30)31)20(38-22)21(27)28/h2-7,15,18-20,22-23,25-26H,1H3,(H,27,28)(H,29,30,31)(H,32,33,34)/p-2/t15-,18-,19+,20-,22+/m0/s1 MANWEJPUTNQLGH-ORNMCMLCBW Isoscutellarein 4'-methyl ether 8-O-β-D-glucuronide 2'',4''-disulfate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,6,10,15,19,23-Hexamethyl-tetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexaol (2E,10E,14E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,10,14,22-tetraene-1,6,7,18,19,24-hexol 2,10,14,22-tetracosatetraene-1,6,7,18,19,24-hexol, 2,6,10,15,19,23-hexamethyl-, (2E,10E,14E,22E)- InChI=1/C30H54O6/c1-23(15-17-27(33)29(5,35)19-9-13-25(3)21-31)11-7-8-12-24(2)16-18-28(34)30(6,36)20-10-14-26(4)22-32/h11-14,27-28,31-36H,7-10,15-22H2,1-6H3/b23-11+,24-12+,25-13+,26-14+ VZNMYFXGBPEORA-VUHAMLAFBY (6,7,12,6',7',12')-Hexahydroxysqualene Concentricol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-Isopropenyl-2,5-dimethyl-octahydro-cyclopropa[d]indene rel-(1R,1aS,2R,4aS,5R,7aS)-1-isopropenyl-2,5-dimethyloctahydro-1H-cyclopropa[d]indene 1H-cycloprop[d]indene, octahydro-2,5-dimethyl-1-(1-methylethenyl)-, (1S,1aR,2S,4aR,5S,7aR)- InChI=1/C15H24/c1-9(2)13-14-11(4)5-6-12-10(3)7-8-15(12,13)14/h10-14H,1,5-8H2,2-4H3/t10-,11-,12+,13+,14+,15-/m0/s1 ZNVSGENNKBLLJB-VAITZFKYBQ (-)-(1R,2R,3R,4S,7R,8S)-4,8-Dimethyl-2-(1'-methylethylene)-tricyclo[5.3.0.0^(1,3)]decane (-)-Tamariscene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(3bR,4aS,7aR,12aS,12bR)-12-acetyl-11-hydroxy-5-methyl-3b,4,4a,5,6,7,12,12a,12b,13-decahydrofuro[3',4':5,6]pyrano[3,4-a]pyrrolo[2,3-d]carbazol-3(1H)-one furo[3',4':5,6]pyrano[3,4-a]pyrrolo[2,3-d]carbazol-3(1H)-one, 12-acetyl-3b,4,4a,5,6,7,12,12a,12b,13-decahydro-11-hydroxy-5-methyl-, (3bR,4aS,7aR,12aS,12bR)- InChI=1/C22H24N2O5/c1-11(25)24-19-14(4-3-5-15(19)26)22-6-7-23(2)17(22)8-12-13(20(22)24)9-28-16-10-29-21(27)18(12)16/h3-5,12-13,17,20,26H,6-10H2,1-2H3/t12-,13-,17+,20+,22-/m1/s1 KFAHCTHASDGJBX-YRMRWDKOBB 11-Demethoxy-12-hydroxy-3-epi-myrtoidine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-Hydroxy-9-hydroxymethyl-1,2,6a,6b,9,12a-hexamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid (9xi,18xi)-19,24-dihydroxy-3-oxours-12-en-28-oic acid urs-12-en-28-oic acid, 19,24-dihydroxy-3-oxo-, (9xi,18xi)- InChI=1/C30H46O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-21,23,31,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21?,23?,25+,26-,27-,28-,29-,30+/m1/s1 DICFMPCEXYENLE-QRUDTIAMBH 19,24-Dihydroxyurs-12-en-3-one-28-oic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-[6-(3,4-Dihydroxy-4-hydroxymethyl-tetrahydro-furan-2-yloxymethyl)-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy]-5-hydroxy-2-(4-methoxy-phenyl)-6,8-dimethyl-chroman-4-one (2R)-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl rel-6-O-[(2S,3S,4S)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-L-glucopyranoside 4H-1-benzopyran-4-one, 2,3-dihydro-5-hydroxy-2-(4-methoxyphenyl)-6,8-dimethyl-7-[[6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]-, (2S)- InChI=1/C29H36O14/c1-12-20(32)19-16(31)8-17(14-4-6-15(38-3)7-5-14)41-25(19)13(2)24(12)43-27-23(35)22(34)21(33)18(42-27)9-39-28-26(36)29(37,10-30)11-40-28/h4-7,17-18,21-23,26-28,30,32-37H,8-11H2,1-3H3/t17-,18+,21+,22-,23+,26-,27-,28+,29+/m0/s1 SBEVOVWWSQLCJK-JOFSYXLSBZ 7-O-β-D-Apiofuranosyl-(1->6)-β-D-glucopyranosyl matteucinol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-(2,4,6-Trihydroxy-henicosyl)-5,6-dihydro-pyran-2-one rel-(6R)-6-[(2S,4R,6R)-2,4,6-trihydroxyhenicosyl]-5,6-dihydro-2H-pyran-2-one 2H-pyran-2-one, 5,6-dihydro-6-[(2R,4S,6S)-2,4,6-trihydroxyheneicosyl]-, (6S)- InChI=1/C26H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(27)19-23(28)20-24(29)21-25-17-15-18-26(30)31-25/h15,18,22-25,27-29H,2-14,16-17,19-21H2,1H3/t22-,23-,24+,25-/m0/s1 ZRSGGHWJPOEZQF-JBXUNAHCBS Passifloricin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

hex-1-yne 1-hexyne InChI=1/C6H10/c1-3-5-6-4-2/h1H,4-6H2,2H3 CGHIBGNXEGJPQZ-UHFFFAOYAY 1-HEXYNE . Information we have got: NMR spectra 13C, 13C, 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

7-Isopropenyl-bicyclo[4.2.0]octa-1,3,5-triene-2,5-diol 7-isopropenylbicyclo[4.2.0]octa-1,3,5-triene-2,5-diol bicyclo[4.2.0]octa-1,3,5-triene-2,5-diol, 7-(1-methylethenyl)- InChI=1/C11H12O2/c1-6(2)7-5-8-9(12)3-4-10(13)11(7)8/h3-4,7,12-13H,1,5H2,2H3 CHBOVVKYCNAZHG-UHFFFAOYAA 7-Isopropenylbicyclo[4.2.0]octa-1,3,5-triene-2,5-diol Acremonin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17-Hydroxy-17-[1-(2-hydroxy-1,6-dimethyl-3,7-dioxa-bicyclo[4.1.0]hept-4-yl)-ethyl]-10,13-dimethyl-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-1-one rel-(10R,13S,17S)-17-hydroxy-17-{(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]hept-4-yl]ethyl}-10,13-dimethyl-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenant pentopyranoside, (3beta,4beta,6alpha,9xi,14xi,15beta,16beta,17xi,24R)-3,4,8,15,16-pentahydroxy-6-(sulfooxy)stigmastan-29-yl 4-O-methyl-, monosodium salt InChI=1/C28H40O5/c1-16(21-15-25(3)27(5,33-25)23(30)32-21)28(31)14-12-19-18-10-9-17-7-6-8-22(29)26(17,4)20(18)11-13-24(19,28)2/h6,8-9,16,18-21,23,30-31H,7,10-15H2,1-5H3/t16-,18?,19?,20?,21-,23-,24+,25+,26+,27-,28+/m1/s1 BDZXFCPMKYCHFV-RTPVBUSBBT (22R,24S,25R,26R)-1-oxo-22,26;24,25-diepoxy-17α,26-dihydroxyergost-2,5-diene Cilistol a . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

sodium (3beta,4beta,6alpha,9xi,14xi,15beta,16beta,17xi,24R)-3,4,8,15,16-pentahydroxy-29-[(4-O-methylpentopyranosyl)oxy]stigmastan-6-yl sulfate pentopyranoside, (3beta,4beta,6alpha,9xi,14xi,15beta,16beta,17xi,24R)-3,4,8,15,16-pentahydroxy-6-(sulfooxy)stigmastan-29-yl 4-O-methyl-, monosodium salt InChI=1/C35H62O14S.Na/c1-17(2)19(11-14-47-32-30(41)27(38)22(46-6)16-48-32)8-7-18(3)24-28(39)29(40)31-34(24,5)13-10-23-33(4)12-9-20(36)26(37)25(33)21(15-35(23,31)42)49-50(43,44)45;/h17-32,36-42H,7-16H2,1-6H3,(H,43,44,45);/q;+1/p-1/t18-,19-,20+,21+,22?,23? NLVHNQPHSCEZHU-NNEYJJNSBE (24R)-24²-O-(4-O-Methyl-β-D-xylopyranosyl)-6-O-sulfonato-24-ethyl-5α-cholestane-3β,4β,6α,8,15β,16β,24²-heptol sodium salt Certonardoside I . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-[Hydroxy-(4-hydroxy-phenyl)-methyl]-6-methoxy-isoquinolin-7-ol 1-[hydroxy(4-hydroxyphenyl)methyl]-6-methoxyisoquinolin-7-ol 1-isoquinolinemethanol, 7-hydroxy-alpha-(4-hydroxyphenyl)-6-methoxy-, (alphaS)- InChI=1/C17H15NO4/c1-22-15-8-11-6-7-18-16(13(11)9-14(15)20)17(21)10-2-4-12(19)5-3-10/h2-9,17,19-21H,1H3/t17-/m0/s1 XWZBLZPLPZOXQV-KRWDZBQOBH 1(S)-hydroxy-p-hydroxybenzyl-6-methoxy-7-hydroxyisoquinoline Annocherine A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-{6-Isopropenyl-1,3-dimethyl-2-[2-(5,5,8a-trimethyl-2-methylene-6-oxo-decahydro-naphthalen-1-yl)-ethyl]-cyclohex-3-enyl}-propionic acid rel-3-((1R,2R,6R)-6-isopropenyl-1,3-dimethyl-2-{2-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylene-6-oxodecahydronaphthalen-1-yl]ethyl}cyclohex-3-en-1-yl)propanoic acid 3-cyclohexene-1-propanoic acid, 2-[2-[(1S,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl]ethyl]-1,3-dimethyl-6-(1-methylethenyl)-, (1S,2S,6S)- InChI=1/C30H46O3/c1-19(2)22-11-9-20(3)23(29(22,7)18-16-27(32)33)12-13-24-21(4)10-14-25-28(5,6)26(31)15-17-30(24,25)8/h9,22-25H,1,4,10-18H2,2-3,5-8H3,(H,32,33)/t22-,23-,24-,25-,29-,30+/m0/s1 ZBUMNLRXRGVNIJ-OLUUQECQBN Lansionic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3,3-Dimethyl-11-(3-methyl-but-2-enyl)-3H,12bH-4,8,13-trioxa-dibenzo[a,i]fluorene-6b,10-diol rel-(6bR,12bR)-3,3-dimethyl-11-(3-methylbut-2-en-1-yl)-3H,7H-chromeno[6',5':4,5]furo[3,2-c]chromene-6b,10(12bH)-diol (non-preferred name) 3H,7H-pyrano[2',3':6,7]benzofuro[3,2-c][1]benzopyran-6b,10(12bH)-diol, 3,3-dimethyl-11-(3-methyl-2-butenyl)-, (6bS,12bS)- InChI=1/C25H26O5/c1-14(2)5-6-15-11-17-21(12-19(15)26)28-13-25(27)18-7-8-20-16(22(18)29-23(17)25)9-10-24(3,4)30-20/h5,7-12,23,26-27H,6,13H2,1-4H3/t23-,25+/m0/s1 CMHGFGMNRHHGSN-UKILVPOCBM Erysubin E . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Ethyl-4-[2-(4-hydroxy-phenyl)-ethoxycarbonylmethyl]-6-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-5,6-dihydro-4H-pyran-3-carboxylic acid methyl ester methyl rel-(2R,3S,4R)-3-ethyl-2-(beta-L-glucopyranosyloxy)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylate 2H-pyran-4-acetic acid, 3-ethyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(4-hydroxyphenyl)ethyl ester, (2S,3R,4S)- InChI=1/C25H34O12/c1-3-15-16(10-19(28)34-9-8-13-4-6-14(27)7-5-13)17(23(32)33-2)12-35-24(15)37-25-22(31)21(30)20(29)18(11-26)36-25/h4-7,12,15-16,18,20-22,24-27,29-31H,3,8-11H2,1-2H3/t15-,16+,18-,20-,21+,22-,24+,25+/m1/s1 ZPYDXRKJBFBYGO-UCSVYGSWBC Lucidumoside A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17-[5-(1,2-Dihydroxy-2-methyl-propyl)-2-ethoxy-tetrahydro-furan-3-yl]-4,4,10,13,14-pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one rel-(10R,13S,14S,17S)-17-{(2R,3S,5R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]-2-ethoxytetrahydrofuran-3-yl}-4,4,10,13,14-pentamethyl-1,2,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-3H-cyclopenta[a]phe 3-pyridinecarboxylic acid, [(2R,3R,5S,5aS,6R,7R,8S,9S,9aS,10R)-5,6,7,10-tetrakis(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,9-dimethyl-8-(2-methyl-1-oxobutoxy)-4-oxo-2H-3,9a-methano-1-benz InChI=1/C32H52O5/c1-9-36-27-19(18-23(37-27)26(34)29(4,5)35)20-12-16-32(8)22-10-11-24-28(2,3)25(33)14-15-30(24,6)21(22)13-17-31(20,32)7/h10,19-21,23-24,26-27,34-35H,9,11-18H2,1-8H3/t19-,20-,21?,23+,24?,26+,27+,30+,31-,32+/m0/s1 IMIFPTNQMZAQRL-MSVGAINHBU 21R,23R-Epoxy-21α-ethoxy-24S,25-dihydroxyapotirucall-7-en-3-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Nicotinic acid 4,5,7,12-tetraacetoxy-6-acetoxymethyl-2-hydroxy-2,10-dimethyl-3-(2-methyl-butyryloxy)-8-oxo-11-oxa-tricyclo[7.2.1.0^(1,6)]dodec-10-ylmethyl ester {(2R,3R,5S,5aS,6R,7R,8S,9S,9aS,10R)-5,6,7,10-tetrakis(acetyloxy)-5a-[(acetyloxy)methyl]-9-hydroxy-2,9-dimethyl-8-[(2-methylbutanoyl)oxy]-4-oxooctahydro-2H-3,9a-methano-1-benzoxepin-2-yl}methyl rel-nic InChI=1/C36H45NO17/c1-10-17(2)31(44)53-29-26(49-19(4)39)30(52-22(7)42)35(16-47-18(3)38)28(51-21(6)41)25(43)24-27(50-20(5)40)36(35,34(29,9)46)54-33(24,8)15-48-32(45)23-12-11-13-37-14-23/h11-14,17,24,26-30,46H,10,15-16H2,1-9H3/t17?,24-,26+,27-,28-,29+,30+, VZNBBVMTJYKZLE-NCKQUOJJBZ 1β,2β,5α,8β,11-Pentaacetoxy-4α-hydroxy-3α-(2'-methylbutanoyl)-15-nicotinoyl-7-oxo-dihydroagarofuran . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Methyl-2,3-dihydro-pyran-4-one 6-methyl-2,3-dihydro-4H-pyran-4-one 4H-pyran-4-one, 2,3-dihydro-6-methyl- InChI=1/C6H8O2/c1-5-4-6(7)2-3-8-5/h4H,2-3H2,1H3 OXQAUABVOFKUNR-UHFFFAOYAX 2-Methyl-5,6-dihydro-4-pyrone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,5-dihydroxy-4-[3-(4-hydroxy-3-methoxy-phenyl)-acryloyloxy]-cyclohexanecarboxylic acid methyl ester methyl rel-(1R,3S,4S,5S)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,5-dihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylate cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-4-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-, methyl ester, (1S,3R,4R,5R)- InChI=1/C27H28O12/c1-36-21-12-16(4-8-18(21)29)6-10-24(33)39-25-20(31)13-27(35,26(34)37-2)14-22(25)38-23(32)9-5-15-3-7-17(28)19(30)11-15/h3-12,20,22,25,28-31,35H,13-14H2,1-2H3/b9-5+,10-6+/t20-,22-,25-,27+/m1/s1 RTLCSWCXZWROFK-YODDMHFOBR Methyl 4-O-feruloyl-5-O-caffeoylquinate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

methyl methanesulfonate methanesulfonic acid, methyl ester InChI=1/C2H6O3S/c1-5-6(2,3)4/h1-2H3 MBABOKRGFJTBAE-UHFFFAOYAK Methyl methanesulfonate . Information we have got: NMR spectra 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

methyl 3-oxobutanoate butanoic acid, 3-oxo-, methyl ester InChI=1/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 WRQNANDWMGAFTP-UHFFFAOYAM Methyl acetoacetate . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

pentane pentane InChI=1/C5H12/c1-3-5-4-2/h3-5H2,1-2H3 OFBQJSOFQDEBGM-UHFFFAOYAN pentane . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

9-Methoxy-4,8,11,11-tetramethyl-bicyclo[8.1.0]undec-4-ene rel-(1R,4E,8S,9S,10S)-9-methoxy-4,8,11,11-tetramethylbicyclo[8.1.0]undec-4-ene bicyclo[8.1.0]undec-4-ene, 9-methoxy-4,8,11,11-tetramethyl-, (1R,4E,8S,9S,10S)- InChI=1/C16H28O/c1-11-7-6-8-12(2)15(17-5)14-13(10-9-11)16(14,3)4/h7,12-15H,6,8-10H2,1-5H3/b11-7+/t12-,13+,14+,15-/m0/s1 XNEFKLWTAVKDKQ-CWYPELEZBQ (4S*,5S*,6R*,7R*)-5-Methoxy-1(10)E-lepidozene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6,7-Dimethyl-10-methylene-6-[2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-cyclodeca-1,3-dienecarboxylic acid methyl ester methyl rel-(1E,3Z,6R,7R)-6,7-dimethyl-10-methylene-6-[2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylate 1,3-cyclodecadiene-1-carboxylic acid, 6-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-6,7-dimethyl-10-methylene-, methyl ester, (1E,3Z,6R,7R)- InChI=1/C21H28O4/c1-15-8-9-16(2)21(3,12-10-17-13-19(22)25-14-17)11-6-5-7-18(15)20(23)24-4/h5-7,13,16H,1,8-12,14H2,2-4H3/b6-5-,18-7+/t16-,21+/m1/s1 ZEYCJSDKNCCDKH-XGDYOGRIBB 6,7-Dimethyl-10-methylene-6-[2-(5-oxo-2,5-dihydro-furan-3-yl)-ethyl]-cyclodeca-1,3-dienecarboxylic acid methyl ester . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N-ethylethanamine ethanamine, N-ethyl- InChI=1/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3 HPNMFZURTQLUMO-UHFFFAOYAD Diethylamine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

propionic acid propanoic acid InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) XBDQKXXYIPTUBI-UHFFFAOYAP Propionic Acid . Information we have got: NMR spectra 13C, 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-(3,4-Dihydroxy-phenyl)-3,5-dihydroxy-6-(3-methyl-but-2-enyl)-7-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-chroman-4-one 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-(3-methylbut-2-en-1-yl)-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-glucopyranoside 4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-6-(3-methyl-2-butenyl)- InChI=1/C26H30O12/c1-10(2)3-5-12-15(37-26-24(35)22(33)20(31)17(9-27)38-26)8-16-18(19(12)30)21(32)23(34)25(36-16)11-4-6-13(28)14(29)7-11/h3-4,6-8,17,20,22-31,33-35H,5,9H2,1-2H3/t17-,20-,22+,23?,24-,25?,26-/m1/s1 PUESREWMQAMGGP-HTBQUZTBBF 6-γ,γ-Dimethylallyltaxifolin 7-O-β-D-glucoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-chloropropane propane, 2-chloro- InChI=1/C3H7Cl/c1-3(2)4/h3H,1-2H3 ULYZAYCEDJDHCC-UHFFFAOYAB 2-CHLORO-PROPANE . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-methylpentanenitrile pentanenitrile, 4-methyl- InChI=1/C6H11N/c1-6(2)4-3-5-7/h6H,3-4H2,1-2H3 DUJMVKJJUANUMQ-UHFFFAOYAF 4-methylvaleronitrile . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-methylpropan-2-ol 2-methylpropan-2-ol 2-propanol, 2-methyl- InChI=1/C4H10O/c1-4(2,3)5/h5H,1-3H3 DKGAVHZHDRPRBM-UHFFFAOYAF Dimethylethanol tert-Butanol tert-butylalcohol Trimethylmethanol . Information we have got: NMR spectra 13C, 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-hydroxypropanoic acid propanoic acid, 2-hydroxy- InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6) JVTAAEKCZFNVCJ-UHFFFAOYAX lactic acid . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-bromobutanoic acid butanoic acid, 3-bromo- InChI=1/C4H7BrO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7) HAIUIAZIUDPZIE-UHFFFAOYAI 3-bromo-butanoic acid 3-bromobutyric acid . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

propylene glycol 1,2-propanediol InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 DNIAPMSPPWPWGF-UHFFFAOYAE 1,2-propanediol . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

pinacol 2,3-butanediol, 2,3-dimethyl- InChI=1/C6H14O2/c1-5(2,7)6(3,4)8/h7-8H,1-4H3 IVDFJHOHABJVEH-UHFFFAOYAX 2,3-dimethyl-2,3-butanediol 2,3-dimethylbutane-2,3-diol pinacol . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethane-1,2-diamine 1,2-ethanediamine InChI=1/C2H8N2/c3-1-2-4/h1-4H2 PIICEJLVQHRZGT-UHFFFAOYAH ETHANE,1,2-DIAMINO . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

pentanoic acid pentanoic acid InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) NQPDZGIKBAWPEJ-UHFFFAOYAU valeric acid . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

non-1-yne 1-nonyne InChI=1/C9H16/c1-3-5-7-9-8-6-4-2/h1H,4-9H2,2H3 OSSQSXOTMIGBCF-UHFFFAOYAP 1-Nonyne . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

vinyl acetate acetic acid, ethenyl ester InChI=1/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3 XTXRWKRVRITETP-UHFFFAOYAB Vinyl acetate . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

acrylic acid 2-propenoic acid InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) NIXOWILDQLNWCW-UHFFFAOYAJ . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

methyl acrylate 2-propenoic acid, methyl ester InChI=1/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3 BAPJBEWLBFYGME-UHFFFAOYAO methyl acrylate . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,1'-sulfonyldiethylene ethene, 1,1'-sulfonylbis- InChI=1/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2 AFOSIXZFDONLBT-UHFFFAOYAS vinyl sulfone . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(2Z)-but-2-enedioic acid 2-butenedioic acid, (2Z)- InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1- VZCYOOQTPOCHFL-UPHRSURJBG Maleic acid . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(2E)-but-2-enoic acid 2-butenoic acid, (2E)- InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2+ LDHQCZJRKDOVOX-NSCUHMNNBH trans-Crotonic acid . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

5-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxy-benzaldehyde 5-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxybenzaldehyde benzaldehyde, 5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)-2-hydroxy- InChI=1/C16H10O6/c17-6-9-3-8(1-2-12(9)19)11-7-22-14-5-10(18)4-13(20)15(14)16(11)21/h1-7,18-20H VADCBXVTZOWGFC-UHFFFAOYAJ 3'-Formylgenistein 5-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)-2-hydroxy-benzaldehyde . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-(6-Bromo-hexa-3,5-dienyl)-1,7-dihydroxy-13-(3-hydroxy-4,5-dimethoxy-6-methyl-tetrahydro-pyran-2-yloxy)-5,8,12-trimethyl-4,15-dioxa-bicyclo[9.3.1]pentadecan-3-one (1R,5S,7S,8S,11R,12S,13R)-5-[(3E,5E)-6-bromohexa-3,5-dien-1-yl]-1,7-dihydroxy-5,8,12-trimethyl-3-oxo-4,15-dioxabicyclo[9.3.1]pentadec-13-yl rel-6-deoxy-3,4-di-O-methyl-alpha-D-mannopyranoside 4,15-dioxabicyclo[9.3.1]pentadecan-3-one, 5-[(3E,5E)-6-bromo-3,5-hexadienyl]-13-[(6-deoxy-3,4-di-O-methyl-alpha-L-mannopyranosyl)oxy]-1,7-dihydroxy-5,8,12-trimethyl-, (1S,5R,7R,8R,11S,12R,13S)- InChI=1/C30H49BrO10/c1-18-11-12-22-19(2)23(39-28-25(34)27(37-6)26(36-5)20(3)38-28)16-30(35,40-22)17-24(33)41-29(4,15-21(18)32)13-9-7-8-10-14-31/h7-8,10,14,18-23,25-28,32,34-35H,9,11-13,15-17H2,1-6H3/b8-7+,14-10+/t18-,19+,20+,21-,22+,23+,25-,26+,27+,28+,2 IFLWJWSXKDLJIN-RHAGIDFEBG Lyngbyaloside B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14b-hexadecahydro-2H-picene-4a-carboxylic acid (3beta,5xi,18xi)-3-hydroxyoleana-9(11),12-dien-28-oic acid oleana-9(11),12-dien-28-oic acid, 3-hydroxy-, (3beta,5xi,18xi)- InChI=1/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20?,21?,23-,27-,28+,29+,30-/m0/s1 KICUTMUDQMLBSF-MSBLBJFJBN 3β-Hydroxyolean-9(11),12-dien-28-oic acid eucalyptanoic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Hydroxy-6-methyl-3,9-dimethylene-octahydro-azuleno[4,5-b]furan-2,8-dione rel-(3aR,6S,6aS,9aS,9bR)-6-hydroxy-6-methyl-3,9-bis(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione azuleno[4,5-b]furan-2,8(3H,4H)-dione, octahydro-6-hydroxy-6-methyl-3,9-bis(methylene)-, (3aS,6R,6aR,9aR,9bS)- InChI=1/C15H18O4/c1-7-9-4-5-15(3,18)10-6-11(16)8(2)12(10)13(9)19-14(7)17/h9-10,12-13,18H,1-2,4-6H2,3H3/t9-,10+,12-,13-,15+/m0/s1 ZFIYHRXIURBIFJ-WXDRJKLIBC 10α-hydroxy-3-oxoguaia-4(15),11(13)-dieno-12,6-lactone Chinensiolide A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,1,4a-Trimethyl-6-methylene-5-(3-methyl-penta-2,4-dienyl)-decahydro-naphthalene-2,3-diol rel-(2R,3S,4aS,5R,8aS)-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene-2,3-diol 2,3-naphthalenediol, decahydro-1,1,4a-trimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadienyl]-, (2S,3R,4aR,5S,8aR)- InChI=1/C20H32O2/c1-7-13(2)8-10-15-14(3)9-11-17-19(4,5)18(22)16(21)12-20(15,17)6/h7-8,15-18,21-22H,1,3,9-12H2,2,4-6H3/b13-8+/t15-,16+,17-,18+,20+/m0/s1 CYVDNLSWCPUNBX-DRAJZTDBBH 2α,3α-Dihydroxy-labda-8(17),12(13),14(15)-triene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Bromo-3-oxo-butyric acid 4-bromo-3-oxobutanoic acid butanoic acid, 4-bromo-3-oxo- InChI=1/C4H5BrO3/c5-2-3(6)1-4(7)8/h1-2H2,(H,7,8) PLMCCOPFYJURPS-UHFFFAOYAI Bromoacetyl acetic acid . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-Bromo-3-hydroxy-but-2-enoic acid (2Z)-4-bromo-3-hydroxybut-2-enoic acid 2-butenoic acid, 4-bromo-3-hydroxy-, (2Z)- InChI=1/C4H5BrO3/c5-2-3(6)1-4(7)8/h1,6H,2H2,(H,7,8)/b3-1- FKIZGYGHOAEWLF-IWQZZHSRBR Bromoacetyl acetic acid . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

6-Acetyl-5-hydroxy-7-methyl-4-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-naphthalene-2-carboxylic acid 6-acetyl-4-(beta-glucopyranosyloxy)-5-hydroxy-7-methyl-2-naphthoic acid 2-naphthalenecarboxylic acid, 6-acetyl-4-(beta-D-glucopyranosyloxy)-5-hydroxy-7-methyl- InChI=1/C20H22O10/c1-7-3-9-4-10(19(27)28)5-11(14(9)16(24)13(7)8(2)22)29-20-18(26)17(25)15(23)12(6-21)30-20/h3-5,12,15,17-18,20-21,23-26H,6H2,1-2H3,(H,27,28)/t12-,15-,17+,18-,20-/m1/s1 GPYNRGVKMWCYIE-DIKOWXHZBW 2-Acetyl-3-methyl-6-carboxy-1,8-dihydroxynaphthalene-8-O-β-D-glucopyranoside Rumexoside . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-5-{(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]vinyl}benzene-1,3-diol 1,3-benzenediol, 5-[(E)-2-[(2R,3R)-3-(3,5-dihydroxyphenyl)-2,3-dihydro-2-(4-hydroxyphenyl)-5-benzofuranyl]ethenyl]- InChI=1/C28H22O6/c29-20-6-4-18(5-7-20)28-27(19-12-23(32)15-24(33)13-19)25-11-16(3-8-26(25)34-28)1-2-17-9-21(30)14-22(31)10-17/h1-15,27-33H/b2-1+/t27-,28+/m1/s1 LILPTCHQLRKZNG-CKKRXTSSBU Maximol A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3,5-Dimethoxy-4-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-benzoic acid 3,4,5-trihydroxy-6-[3-(4-hydroxy-phenyl)-1-methyl-propoxy]-tetrahydro-pyran-2-ylmethyl ester (1R)-3-(4-hydroxyphenyl)-1-methylpropyl rel-6-O-{4-[(6-deoxy-alpha-D-mannopyranosyl)oxy]-3,5-dimethoxybenzoyl}-beta-L-glucopyranoside beta-D-glucopyranoside, (1S)-3-(4-hydroxyphenyl)-1-methylpropyl, 6-[4-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3,5-dimethoxybenzoate] InChI=1/C31H42O15/c1-14(5-6-16-7-9-18(32)10-8-16)43-30-27(38)25(36)23(34)21(45-30)13-42-29(39)17-11-19(40-3)28(20(12-17)41-4)46-31-26(37)24(35)22(33)15(2)44-31/h7-12,14-15,21-27,30-38H,5-6,13H2,1-4H3/t14-,15-,21+,22-,23+,24+,25-,26+,27+,30+,31-/m0/s1 CIHMYYKGIXISGM-XDRKDKROBX (S)-4-(4-Hydroxyphenyl)-2-butanol 2-O-[6-O-(3,5-dimethoxy-4-O-α-L-rhamnopyranosylgalloyl)-β-D-glucopyranoside] . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

12a-Hydroxy-9-(7-hydroxy-3,7-dimethyl-octa-2,5-dienyloxy)-2,3-dimethoxy-6a,12a-dihydro-6H-chromeno[3,4-b]chromen-12-one 12a-hydroxy-9-{[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}-2,3-dimethoxy-6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one [1]benzopyrano[2,3-c][1]benzopyran-12(6H)-one, 6a,12a-dihydro-12a-hydroxy-9-[[(2E,5E)-7-hydroxy-3,7-dimethyl-2,5-octadienyl]oxy]-2,3-dimethoxy- InChI=1/C28H32O8/c1-17(7-6-11-27(2,3)30)10-12-34-18-8-9-19-21(13-18)36-25-16-35-22-15-24(33-5)23(32-4)14-20(22)28(25,31)26(19)29/h6,8-11,13-15,25,30-31H,7,12,16H2,1-5H3/b11-6+,17-10+ VXBXQMZYISYYKS-IKSBHEPWBK 4',5'-Dimethoxy-3-hydroxy-7-O-[(E)-3,7-dimethyl-7-hydroxyocta-2,5-dienyl] rotenoid Griffonianone A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 17-(5-hydroxy-2,6,6-trimethyl-tetrahydro-pyran-2-yl)-4,4,8,10,14-pentamethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester (3R,8S,10S,13S,14S,17R)-17-[(2R,5R)-5-hydroxy-2,6,6-trimethyltetrahydro-2H-pyran-2-yl]-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl rel-acetate (non-preferred name) InChI=1/C32H54O4/c1-20(33)35-26-15-16-29(6)23(27(26,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-14-25(34)28(4,5)36-32/h21-26,34H,10-19H2,1-9H3/t21-,22+,23?,24?,25+,26+,29+,30-,31-,32+/m1/s1 TVDGNOQUKHVJSM-QGOFXGLOBY 3β-Acetyl-20,25-epoxydammarane-24α-ol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5a,5b,8,8,11a,13b-Hexamethyl-3-oxiranyl-octadecahydro-cyclopenta[a]chrysen-13a-ol rel-(3R,5aR,5bS,11aR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-[(2R)-oxiran-2-yl]icosahydro-13aH-cyclopenta[a]chrysen-13a-ol (non-preferred name) InChI=1/C29H48O2/c1-24(2)12-7-13-25(3)22(24)10-15-27(5)23(25)11-17-29(30)26(4)14-8-19(21-18-31-21)20(26)9-16-28(27,29)6/h19-23,30H,7-18H2,1-6H3/t19-,20?,21+,22?,23?,25-,26-,27+,28-,29-/m0/s1 FXADPHPUTINKDJ-JDJVOMKRBB 22,29ξ-Epoxy-30-norhopane-13β-ol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Benzene benzene benzene InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H UHOVQNZJYSORNB-UHFFFAOYAH Benzene . Information we have got: NMR spectra 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(2R,5S,5aR,5bS,12R,12aS,15R)-2-isopropyl-5,7,12,14-tetramethyl-9-(1-methylethylidene)-3,6,10-trioxo-1,2,3,4,5,6,8,9,10,11,12,13-dodecahydro-5bH-5a,13-methanocyclohepta[5,6]benzo[1,2-c]azulen-15-yl rel 8H-5a,13-methanocyclohepta[5,6]benz[1,2-c]azulene-3,6,10(2H,5bH)-trione, 15-(acetyloxy)-1,4,5,9,11,12,13-heptahydro-5,7,12,14-tetramethyl-2-(1-methylethyl)-9-(1-methylethylidene)-, (2R,5S,5aR,5bS,12R, InChI=1/C32H42O5/c1-14(2)21-12-23-18(7)27-30(37-20(9)33)32(23,17(6)11-26(21)35)29-28(36)19(8)24-13-22(15(3)4)25(34)10-16(5)31(24,27)29/h14,16-17,21,27,29-30H,10-13H2,1-9H3/t16-,17+,21-,27?,29+,30-,31+,32+/m1/s1 JEOYUTDXYSTIFU-CEECQTNUBE Vielanin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-Benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris-(3-methyl-but-2-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione rel-(1R,5R,7S)-1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione bicyclo[3.3.1]non-3-ene-2,9-dione, 1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methyl-2-butenyl)-, (1R,5R,7S)- InChI=1/C33H42O4/c1-21(2)14-16-25-20-32(19-18-23(5)6)28(35)26(17-15-22(3)4)29(36)33(30(32)37,31(25,7)8)27(34)24-12-10-9-11-13-24/h9-15,18,25,35H,16-17,19-20H2,1-8H3/t25-,32+,33-/m0/s1 SYKFHCWMZKYPEA-RFQWPUQQBX 1-Benzoyl-3,5,7-tri-(3-methyl-2-butenyl)-4-hydroxy-8-dimethyl-bicyclo[3.3.1]-3-nonene-2,9-dione Nemorosone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Hydroxy-2-methylene-butyric acid 6-[3,5-dihydroxy-2-(4-hydroxy-phenyl)-4-oxo-chroman-7-yloxy]-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester (2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl rel-6-O-(4-hydroxy-2-methylenebutanoyl)-beta-D-glucopyranoside 4H-1-benzopyran-4-one, 2,3-dihydro-3,5-dihydroxy-7-[[6-O-(4-hydroxy-2-methylene-1-oxobutyl)-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-, (2R,3R)- InChI=1/C26H28O13/c1-11(6-7-27)25(35)36-10-17-19(30)21(32)23(34)26(39-17)37-14-8-15(29)18-16(9-14)38-24(22(33)20(18)31)12-2-4-13(28)5-3-12/h2-5,8-9,17,19,21-24,26-30,32-34H,1,6-7,10H2/t17-,19-,21+,22+,23-,24-,26-/m1/s1 VHLPHZHKMCRDIB-YIANMRPHBK 2R,3R-trans-Aromadendrin-7-O-β-D-glucopyranose-6''-(4'''-hydroxy-2'''-methylene butanoate) . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 15-hydroxy-15-isopropyl-1,4,11-trimethyl-7,16,17-trioxo-6,18-dioxa-tricyclo[12.4.0.0^(5,9)]octadeca-4,11-dien-10-yl ester (3aR,4R,5Z,7aR,8S,11aS,14E)-8-hydroxy-8-isopropyl-5,11a,14-trimethyl-2,9,10-trioxo-2,3,3a,4,7,7a,8,9,10,11a,12,13-dodecahydrofuro[3',2':7,8]cycloundeca[1,2-b]pyran-4-yl rel-acetate furo[3',2':7,8]cycloundeca[1,2-b]pyran-2,9,10(3H)-trione, 4-(acetyloxy)-3a,4,7,7a,8,11a,12,13-octahydro-8-hydroxy-5,11a,14-trimethyl-8-(1-methylethyl)-, (3aR,4R,5Z,7aR,8S,11aS,14E)- InChI=1/C24H32O8/c1-12(2)24(29)17-8-7-13(3)19(30-15(5)25)16-11-18(26)31-20(16)14(4)9-10-23(17,6)32-22(28)21(24)27/h7,12,16-17,19,29H,8-11H2,1-6H3/b13-7-,20-14+/t16-,17+,19?,23+,24+/m1/s1 CESQHLZQMYFGMZ-HKWPPRQVBU Atranone K . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Isopropyl-3-methyl-benzene-1,2,4-triol 6-isopropyl-3-methylbenzene-1,2,4-triol 1,2,4-benzenetriol, 3-methyl-6-(1-methylethyl)- InChI=1/C10H14O3/c1-5(2)7-4-8(11)6(3)9(12)10(7)13/h4-5,11-13H,1-3H3 APPAVPSXDLRIOC-UHFFFAOYAV Multiflotriol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yloxy)-4,5,2',4',5'-pentahydroxy-7,7'-dimethyl-[1,1']bianthracenyl-9,10,9',10'-tetraone 2',4,4',5,5'-pentahydroxy-7,7'-dimethyl-9,9',10,10'-tetraoxo-9,9',10,10'-tetrahydro-1,1'-bianthracen-2-yl alpha-xylofuranoside [1,1'-bianthracene]-9,9',10,10'-tetrone, 2,4,4',5,5'-pentahydroxy-7,7'-dimethyl-2'-(beta-L-xylofuranosyloxy)- InChI=1/C35H26O14/c1-10-3-12-21(14(37)5-10)32(45)24-17(40)7-16(39)23(27(24)29(12)42)26-19(48-35-34(47)31(44)20(9-36)49-35)8-18(41)25-28(26)30(43)13-4-11(2)6-15(38)22(13)33(25)46/h3-8,20,31,34-41,44,47H,9H2,1-2H3/t20-,31+,34-,35-/m0/s1 PWDXNJBYCRETST-AZKXDWFLBI S-(+)-Skyrin-6-O-α-arabinofuranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(4-Hydroxy-phenyl)-acrylic acid 4,5-dihydroxy-6-hydroxymethyl-2-[7-methoxy-5-methyl-4-oxo-2-(2-oxo-propyl)-4H-chromen-8-yl]-tetrahydro-pyran-3-yl ester (1S)-1,5-anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]glucitol D-glucitol, 1,5-anhydro-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-1-C-[7-methoxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, (1S)- InChI=1/C29H30O11/c1-14-10-20(37-3)24(27-23(14)19(33)12-18(38-27)11-15(2)31)28-29(26(36)25(35)21(13-30)39-28)40-22(34)9-6-16-4-7-17(32)8-5-16/h4-10,12,21,25-26,28-30,32,35-36H,11,13H2,1-3H3/b9-6+/t21-,25-,26+,28+,29-/m1/s1 WRLXHKDQSQMWSH-ZTUNSOAWBJ 7-O-Methylaloeresin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3,5-Dihydroxy-2-(2-hydroxy-phenyl)-8,8-dimethyl-10-(3-methyl-but-2-enyl)-2,3-dihydro-8H-pyrano[3,2-g]chromen-4-one rel-(7R,8R)-5,7-dihydroxy-8-(2-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one 1,4-cyclohexadiene InChI=1/C25H26O6/c1-13(2)9-10-16-22-15(11-12-25(3,4)31-22)19(27)18-20(28)21(29)24(30-23(16)18)14-7-5-6-8-17(14)26/h5-9,11-12,21,24,26-27,29H,10H2,1-4H3/t21-,24+/m0/s1 TTYWGXALMUZLQM-XUZZJYLKBN 3,5,2'-Trihydroxy-6,7-(2'',2''-dimethylcromene)-8-(3''',3'''-dimethylallyl)-dihydroflavonol Jayacanol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

cyclohexa-1,4-diene 1,4-cyclohexadiene InChI=1/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2 UVJHQYIOXKWHFD-UHFFFAOYAM 1,4-Cyclohexadiene . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(1Z,5Z)-cycloocta-1,5-diene 1,5-cyclooctadiene, (1Z,5Z)- InChI=1/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,7-8H,3-6H2/b2-1-,8-7- VYXHVRARDIDEHS-QGTKBVGQBM COD . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,5-dihydrofuran furan, 2,5-dihydro- InChI=1/C4H6O/c1-2-4-5-3-1/h1-2H,3-4H2 ARGCQEVBJHPOGB-UHFFFAOYAO 2,5-dihydrofuran . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-oxo-2H-pyran-5-carboxylic acid 2H-pyran-5-carboxylic acid, 2-oxo- InChI=1/C6H4O4/c7-5-2-1-4(3-10-5)6(8)9/h1-3H,(H,8,9) ORGPJDKNYMVLFL-UHFFFAOYAU 2-oxo-2H-pyran-5-carboxylic acid Coumalic Acid . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

6-(2,4-Dihydroxy-phenyl)-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-2,3-dihydro-furo[3,2-g]chromen-7-one 6-(2,4-dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g]chromen-7-one 7H-furo[3,2-g][1]benzopyran-7-one, 6-(2,4-dihydroxyphenyl)-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy- InChI=1/C21H20O7/c1-21(2,25)18-8-14-16(27-18)9-17-13(19(14)26-3)7-12(20(24)28-17)11-5-4-10(22)6-15(11)23/h4-7,9,18,22-23,25H,8H2,1-3H3 GAUFLNQQCSXBPK-UHFFFAOYAB 6-(2,4-Dihydroxyphenyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-2,3-dihydro-7H-furo[3,2-g][1]benzopyran-7-one Licofuranocoumarin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N-(4-Chloro-butyl)-butyramide N-(4-chlorobutyl)butanamide butanamide, N-(4-chlorobutyl)- InChI=1/C8H16ClNO/c1-2-5-8(11)10-7-4-3-6-9/h2-7H2,1H3,(H,10,11) ICZQQNWGRJQXLK-UHFFFAOYAL N-4'-Chlorobutylbutyramide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

dimethyl 2-iodoterephthalate 1,4-benzenedicarboxylic acid, 2-iodo-, dimethyl ester InChI=1/C10H9IO4/c1-14-9(12)6-3-4-7(8(11)5-6)10(13)15-2/h3-5H,1-2H3 GJVIVAYVYHUGOO-UHFFFAOYAS 2-Iodo-terephthalic acid dimethyl ester . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,3-benzodioxole-5-carbaldehyde 1,3-benzodioxole-5-carboxaldehyde InChI=1/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 SATCULPHIDQDRE-UHFFFAOYAS 3,4-METHYLEN-DIOXY-BENZALDEHYDE PIPERONAL . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-methylbenzaldehyde benzaldehyde, 4-methyl- InChI=1/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 FXLOVSHXALFLKQ-UHFFFAOYAK 4-Methylbenzaldehyde p-Formyltoluene p-Tolualdehyde . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-furaldehyde 2-furancarboxaldehyde InChI=1/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H HYBBIBNJHNGZAN-UHFFFAOYAD FURFURAL . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

acrylaldehyde 2-propenal InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2 HGINCPLSRVDWNT-UHFFFAOYAQ 2-Propen-1-one 2-propenal acquinite Acraldehyde Acrolein acrylaldehyde Acrylic aldehyde Allyl aldehyde aqualine biocide crolean ethylene aldehyde magnacide magnacide h Magnacide H and B prop-2-en-1-al prop-2-enal propenal Propenaldehyde propylene aldehyde slimicide trans-acrolein . Information we have got: NMR spectra 13C, 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(1beta,2alpha,3beta,16xi,17xi)-1,2-dihydroxyspirost-5-en-3-yl rel-2-O-(6-deoxy-alpha-D-mannopyranosyl)-beta-L-galactopyranoside beta-D-galactopyranoside, (1beta,2alpha,3beta,16xi,17xi)-1,2-dihydroxyspirost-5-en-3-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)- InChI=1/C39H62O14/c1-16-8-11-39(48-15-16)17(2)26-23(53-39)13-22-20-7-6-19-12-24(29(43)34(47)38(19,5)21(20)9-10-37(22,26)4)50-36-33(31(45)28(42)25(14-40)51-36)52-35-32(46)30(44)27(41)18(3)49-35/h6,16-18,20-36,40-47H,7-15H2,1-5H3/t16?,17-,18-,20+,21-,22-,2 QOZBYSLIFVCXJK-WDCKIIOUBK (25R)-1β,2α-Dihydroxyspirost-5-en-3β-yl O-α-L-rhamnopyranosyl-(1->2)-β-D-galactopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2R,3R)-1-(diphenylmethyl)-2,3-diphenylpyrrolidine pyrrolidine, 1-(diphenylmethyl)-2,3-diphenyl-, (2R,3R)- InChI=1/C29H27N/c1-5-13-23(14-6-1)27-21-22-30(29(27)26-19-11-4-12-20-26)28(24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-20,27-29H,21-22H2/t27-,29+/m1/s1 LJDPDXDFRNGKNE-PXJZQJOABE 1-Benzhydryl-2,3-diphenyl-pyrrolidine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

N,N,N-triethylethanaminium iodide ethanaminium, N,N,N-triethyl-, iodide InChI=1/C8H20N.HI/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1 UQFSVBXCNGCBBW-REWHXWOFAS Tetraethylammonium Iodide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-methyl-1H-imidazole 1H-imidazole, 1-methyl- InChI=1/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3 MCTWTZJPVLRJOU-UHFFFAOYAU 1-Methylimidazole . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-(5-chloro-2-thienyl)ethanone ethanone, 1-(5-chloro-2-thienyl)- InChI=1/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3 HTZGPEHWQCRXGZ-UHFFFAOYAJ 2-Acetyl-5-chlorothiophene 5-chloro-2-thienyl methyl ketone . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-nitrothiophene thiophene, 3-nitro- InChI=1/C4H3NO2S/c6-5(7)4-1-2-8-3-4/h1-3H SIPCFXFCVTUAID-UHFFFAOYAI 3-nitrothiophene . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

5-ethyl-2-furoic acid 2-furancarboxylic acid, 5-ethyl- InChI=1/C7H8O3/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3,(H,8,9) YIFZPUOIORLHGC-UHFFFAOYAZ 5-ethyl-2-furoic acid . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-benzyl-3,3-dimethyldiaziridine diaziridine, 3,3-dimethyl-1-(phenylmethyl)- InChI=1/C10H14N2/c1-10(2)11-12(10)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 SWKFOOZRVOSPAU-UHFFFAOYAS 1-Benzyl-3,3-dimethyl-diaziridine . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

cyclopent-3-en-1-ol 3-cyclopenten-1-ol InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-2,5-6H,3-4H2 WEIMJSIRDZDHAH-UHFFFAOYAS Cyclopent-3-enol . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-bromo-5-methoxybenzaldehyde benzaldehyde, 2-bromo-5-methoxy- InChI=1/C8H7BrO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-5H,1H3 XNHKTMIWQCNZST-UHFFFAOYAK 2-Bromo-5-methoxy-benzaldehyde . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

phenylacetonitrile benzeneacetonitrile InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 SUSQOBVLVYHIEX-UHFFFAOYAJ benzyl cyanide Phenyl-acetonitrile phenylacetonitrile . Information we have got: NMR spectra 13C, 13C, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

6-Methoxy-9-oxo-9H-xanthene-2-carboxylic acid methyl ester methyl 6-methoxy-9-oxo-9H-xanthene-2-carboxylate 9H-xanthene-2-carboxylic acid, 6-methoxy-9-oxo-, methyl ester InChI=1/C16H12O5/c1-19-10-4-5-11-14(8-10)21-13-6-3-9(16(18)20-2)7-12(13)15(11)17/h3-8H,1-2H3 HLNNOSVYGGFKMC-UHFFFAOYAJ 2-Carbomethoxy-6-methoxyxanthone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Benzoic acid 6-[2,4-dihydroxy-7-methyl-10-oxo-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-9,10-dihydro-anthracen-9-yl]-3,4,5-trihydroxy-tetrahydro-pyran-2-yl ester rel-(5R)-1-O-benzoyl-5-[(9S)-4-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl]-alpha-L-lyxopyranose alpha-L-lyxopyranose, 5-C-[(9S)-4-(beta-D-glucopyranosyloxy)-9,10-dihydro-5,7-dihydroxy-2-methyl-10-oxo-9-anthracenyl]-, 1-benzoate, (5R)- InChI=1/C33H34O15/c1-12-7-15-20(30-27(41)26(40)29(43)33(47-30)48-31(44)13-5-3-2-4-6-13)16-9-14(35)10-17(36)21(16)24(38)22(15)18(8-12)45-32-28(42)25(39)23(37)19(11-34)46-32/h2-10,19-20,23,25-30,32-37,39-43H,11H2,1H3/t19-,20+,23-,25+,26-,27-,28-,29-,30-,32 NTZOIPBIYCQPFA-RRTBVVDJBR Picramnioside F . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8,8-Dimethyl-7,8-dihydro-pyrano[3,2-g]chromene-2,6-dione 8,8-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromene-2,6-dione naphthalene InChI=1/C14H12O4/c1-14(2)7-10(15)9-5-8-3-4-13(16)17-11(8)6-12(9)18-14/h3-6H,7H2,1-2H3 WEDGVCZUPFZNDE-UHFFFAOYAX Graveolone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,3-dihydro-2H-inden-2-one 2H-inden-2-one, 1,3-dihydro- InChI=1/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2 UMJJFEIKYGFCAT-UHFFFAOYAK 2-Indanone . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,3-dihydro-4H-chromen-4-one 4H-1-benzopyran-4-one, 2,3-dihydro- InChI=1/C9H8O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4H,5-6H2 MSTDXOZUKAQDRL-UHFFFAOYAG 4-Chromanone . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

phenoxathiin phenoxathiin InChI=1/C12H8OS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8H GJSGGHOYGKMUPT-UHFFFAOYAV dibenzooxathiane phenoxathiin . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,2-dihydroacenaphthylene acenaphthylene, 1,2-dihydro- InChI=1/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 CWRYPZZKDGJXCA-UHFFFAOYAW Acenaphthene . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-Benzoyl-6,6-bis-(2-isopropenyl-5-methyl-hex-4-enyl)-3,5-dimethoxy-2-(3-methyl-but-2-enyl)-cyclohexa-2,4-dienone 4-benzoyl-6,6-bis(2-isopropenyl-5-methylhex-4-en-1-yl)-3,5-dimethoxy-2-(3-methylbut-2-en-1-yl)cyclohexa-2,4-dien-1-one 2,4-cyclohexadien-1-one, 4-benzoyl-3,5-dimethoxy-2-(3-methyl-2-butenyl)-6,6-bis[5-methyl-2-(1-methylethenyl)-4-hexenyl]- InChI=1/C40H54O4/c1-26(2)18-21-32(29(7)8)24-40(25-33(30(9)10)22-19-27(3)4)38(42)34(23-20-28(5)6)37(43-11)35(39(40)44-12)36(41)31-16-14-13-15-17-31/h13-20,32-33H,7,9,21-25H2,1-6,8,10-12H3 ZUCNDVHTSGBZSI-UHFFFAOYAR (meso)-4-Benzoyl-3,5-dimethoxy-2-(3-methylbut-2-enyl)-6,6-bis[5-methyl-2-(1-methylvinyl)hexa-4-enyl]cyclohexa-2,4-dien-1-one Dimethyl weddellianone B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(3R,11bS)-3-ethyl-9,10-dimethoxy-2-[(2-nitrophenyl)sulfonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one 4H-pyrazino[2,1-a]isoquinolin-4-one, 3-ethyl-1,2,3,6,7,11b-hexahydro-9,10-dimethoxy-2-[(2-nitrophenyl)sulfonyl]-, (3R,11bS)- InChI=1/C22H25N3O7S/c1-4-16-22(26)23-10-9-14-11-19(31-2)20(32-3)12-15(14)18(23)13-24(16)33(29,30)21-8-6-5-7-17(21)25(27)28/h5-8,11-12,16,18H,4,9-10,13H2,1-3H3/t16-,18-/m1/s1 LCKMJQWZMTYVBK-SJLPKXTDBA 3-Ethyl-9,10-dimethoxy-2-(2-nitro-benzenesulfonyl)-1,2,3,6,7,11b-hexahydro-pyrazino(2,1-a)isoquinolin-4-one . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

9H-xanthene 9H-xanthene InChI=1/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2 GJCOSYZMQJWQCA-UHFFFAOYAO xanthene . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1H-pyrrole 1H-pyrrole InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H KAESVJOAVNADME-UHFFFAOYAK PYROLLE . Information we have got: NMR spectra 13C, 13C, 1H, 15N, 3D coordinates, File formats: CML, mol, png, jpeg

1-(4-methylphenyl)-1H-pyrrole 1H-pyrrole, 1-(4-methylphenyl)- InChI=1/C11H11N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2-9H,1H3 VYUNLDVEMSMJNP-UHFFFAOYAD 1-p-tolylpyrrole . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-(2-furyl)propan-1-one 1-propanone, 1-(2-furanyl)- InChI=1/C7H8O2/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3 HCPORNAVHSWTOJ-UHFFFAOYAV 1-(2-furyl)-1-propanone . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,2-di-2-furylethane-1,2-dione 1,2-ethanedione, 1,2-di-2-furanyl- InChI=1/C10H6O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6H SXPUVBFQXJHYNS-UHFFFAOYAE furil . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-(2-furyl)-N-methylmethanamine 2-furanmethanamine, N-methyl- InChI=1/C6H9NO/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H3 DGLIOWSKNOCHEX-UHFFFAOYAW N-methylfurfurylamine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2R,3R,8S,14R,15R)-2-(3,4-dihydroxyphenyl)-8-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H,14H-8,14-methanochromeno[7,8-d][1,3]benzodioxocine-3,5,11,13,15-pentol 8,14-methano-2H,14H-1,7,9-trioxabenzo[6,7]cycloocta[1,2-a]naphthalene-3,5,11,13,15-pentol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-8-(3,4,5-trihydroxyphenyl)-, (2R,3R,8S,14R,15R)- InChI=1/C30H24O13/c31-12-6-17(35)23-21(7-12)42-30(11-4-18(36)26(39)19(37)5-11)29(40)25(23)24-22(43-30)9-15(33)13-8-20(38)27(41-28(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,20,25,27,29,31-40H,8H2/t20-,25-,27-,29-,30+/m1/s1 WODBGULXKVZGQF-QCPBNORNBU Epigallocatechin-(2β->7,4β->8)-epicatechin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4'-pentylbiphenyl-4-carbonitrile [1,1'-biphenyl]-4-carbonitrile, 4'-pentyl- InChI=1/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3 HHPCNRKYVYWYAU-UHFFFAOYAV 4´-Pentyl-biphenyl-4-carbonitrile . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-(2,4-Dihydroxy-phenyl)-acrylic acid 4-methoxy-phenyl ester 4-methoxyphenyl (2E)-3-(2,4-dihydroxyphenyl)acrylate 2-propenoic acid, 3-(2,4-dihydroxyphenyl)-, 4-methoxyphenyl ester, (2E)- InChI=1/C16H14O5/c1-20-13-5-7-14(8-6-13)21-16(19)9-3-11-2-4-12(17)10-15(11)18/h2-10,17-18H,1H3/b9-3+ RGTHUHDMZGIGAD-YCRREMRBBR 4-Methoxyphenylumbellate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,4a-Dimethyl-6-methylene-5-(3-methyl-penta-2,4-dienyl)-decahydro-naphthalene-1-carboxylic acid rel-(1R,4aS,5R)-1,4a-dimethyl-6-methylene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene-1-carboxylic acid 1-naphthalenecarboxylic acid, decahydro-1,4a-dimethyl-6-methylene-5-[(2E)-3-methyl-2,4-pentadienyl]-, (1S,4aR,5S)- InChI=1/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,8,16-17H,1,3,7,9-13H2,2,4-5H3,(H,21,22)/b14-8+/t16-,17?,19+,20-/m0/s1 YGBZFOQXPOGACY-RZZRVUPTBQ trans-Communic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(2-Benzo[1,3]dioxol-5-yl-7-methoxy-benzofuran-5-yl)-propan-1-ol 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol 5-benzofuranpropanol, 2-(1,3-benzodioxol-5-yl)-7-methoxy- InChI=1/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3 VOLZBKQSLGCZGC-UHFFFAOYAP 2-(1,3-Benzodioxol-5-yl)-7-methoxy-5-benzofuranpropanol 5-(3''-Hydroxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)benzofuran . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(hydroxymethyl)phenyl hexopyranoside hexopyranoside, 2-(hydroxymethyl)phenyl InChI=1/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2 NGFMICBWJRZIBI-UHFFFAOYAQ Salicin . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

thiophene thiophene InChI=1/C4H4S/c1-2-4-5-3-1/h1-4H YTPLMLYBLZKORZ-UHFFFAOYAY thiophene . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-ethoxypyridine pyridine, 2-ethoxy- InChI=1/C7H9NO/c1-2-9-7-5-3-4-6-8-7/h3-6H,2H2,1H3 LISKAOIANGDBTB-UHFFFAOYAL 2-ethoxypyridine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethyl nicotinate 3-pyridinecarboxylic acid, ethyl ester InChI=1/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3 XBLVHTDFJBKJLG-UHFFFAOYAV 3-PYRIDINECARBOXYLIC ACID,ETHYL ESTER nicotinic acid, ethyl ester . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-ethylpyridine pyridine, 4-ethyl- InChI=1/C7H9N/c1-2-7-3-5-8-6-4-7/h3-6H,2H2,1H3 VJXRKZJMGVSXPX-UHFFFAOYAD 4-ethylpyridine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-methylpyridine 1-oxide pyridine, 4-methyl-, 1-oxide InChI=1/C6H7NO/c1-6-2-4-7(8)5-3-6/h2-5H,1H3 IWYYIZOHWPCALJ-UHFFFAOYAY 4-picoline, 1-oxide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,5-dimethylpyridine pyridine, 2,5-dimethyl- InChI=1/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3 XWKFPIODWVPXLX-UHFFFAOYAK 2,5-dimethylpyridine 2,5-LUTIDINE . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4,6-dimethylpyridin-2-amine 2-pyridinamine, 4,6-dimethyl- InChI=1/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9) BRBUBVKGJRPRRD-UHFFFAOYAA 6-amino-2,4-lutidine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,4-dioxaspiro[4.5]decane 1,4-dioxaspiro[4.5]decane InChI=1/C8H14O2/c1-2-4-8(5-3-1)9-6-7-10-8/h1-7H2 GZGPRZYZKBQPBQ-UHFFFAOYAD 1,4-dioxaspiro[4.5]decane . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-(3,4-Dimethoxy-phenyl)-1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-8-yl)-propenone (2E)-3-(3,4-dimethoxyphenyl)-1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-8-yl)prop-2-en-1-one 2-propen-1-one, 3-(3,4-dimethoxyphenyl)-1-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-1-benzopyran-8-yl)-, (2E)- InChI=1/C23H24O6/c1-23(2)11-10-15-19(27-4)13-17(25)21(22(15)29-23)16(24)8-6-14-7-9-18(26-3)20(12-14)28-5/h6-13,25H,1-5H3/b8-6+ MYVVQLOQHTYUSA-SOFGYWHQBL 2'-Hydroxy-3,4,4'-trimethoxy-5',6'-(2'',2''-dimethylpyrano)chalcone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 9-hydroxy-15-isopropyl-16-methoxy-1,4,11-trimethyl-7,17-dioxo-6,18-dioxa-tricyclo[12.4.0.0^(5,9)]octadeca-4,11,15-trien-10-yl ester (3aR,4R,5Z,7aS,11aR,14E)-3a-hydroxy-8-isopropyl-9-methoxy-5,11a,14-trimethyl-2,10-dioxo-2,3,3a,4,7,7a,10,11a,12,13-decahydrofuro[3',2':7,8]cycloundeca[1,2-b]pyran-4-yl rel-acetate furo[3',2':7,8]cycloundeca[1,2-b]pyran-2,10-dione, 4-(acetyloxy)-3,3a,4,7,7a,11a,12,13-octahydro-3a-hydroxy-9-methoxy-5,11a,14-trimethyl-8-(1-methylethyl)-, (3aS,4S,5Z,7aR,11aS,14E)- InChI=1/C25H34O8/c1-13(2)19-17-9-8-14(3)21(31-16(5)26)25(29)12-18(27)32-22(25)15(4)10-11-24(17,6)33-23(28)20(19)30-7/h8,13,17,21,29H,9-12H2,1-7H3/b14-8-,22-15+/t17-,21+,24+,25+/m1/s1 WSJAHUXFDVXVRY-QWFLWWJSBE Atranone G . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-Hydroxy-3-isopropyl-6,10,12a-trimethyl-4,5,8,9,12,12a-hexahydro-3aH-cyclopentacycloundecen-1-one rel-(3aR,6E,8S,10E,12aS)-8-hydroxy-3-isopropyl-6,10,12a-trimethyl-4,5,8,9,12,12a-hexahydrocyclopenta[11]annulen-1(3aH)-one 1(3aH)-cyclopentacycloundecenone, 4,5,8,9,12,12a-hexahydro-8-hydroxy-6,10,12a-trimethyl-3-(1-methylethyl)-, (3aR,6E,8S,10E,12aS)- InChI=1/C20H30O2/c1-13(2)17-12-19(22)20(5)9-8-15(4)11-16(21)10-14(3)6-7-18(17)20/h8,10,12-13,16,18,21H,6-7,9,11H2,1-5H3/b14-10+,15-8+/t16-,18-,20+/m1/s1 HQCVRJOFBONDTQ-BZVGYOAPBL (1S*,6S*,11S*)-6α-Hydroxydolabella-3E,7E,12-trien-14-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-bromo-1,1,2-trifluoroethyl ethyl ether ethane, 2-bromo-1-ethoxy-1,1,2-trifluoro- InChI=1/C4H6BrF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3 JHNFRVXKGJVWFU-UHFFFAOYAB 2-bromo-1,1,2-trifluoroethyl ethyl ether . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-fluoroethanol ethanol, 2-fluoro- InChI=1/C2H5FO/c3-1-2-4/h4H,1-2H2 GGDYAKVUZMZKRV-UHFFFAOYAT 2-fluoroethanol . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethyl bromo(fluoro)acetate acetic acid, bromofluoro-, ethyl ester InChI=1/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3 ULNDTPIRBQGESN-UHFFFAOYAP bromofluoroacetic acid, ethyl ester . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-ol 1-heptanol, 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro- InChI=1/C7H4F12O/c8-2(9)4(12,13)6(16,17)7(18,19)5(14,15)3(10,11)1-20/h2,20H,1H2 BYKNGMLDSIEFFG-UHFFFAOYAD 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-1-heptanol . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-benzoyl-4,5-dihydroisoxazole-5-carbonitrile 5-isoxazolecarbonitrile, 3-benzoyl-4,5-dihydro- InChI=1/C11H8N2O2/c12-7-9-6-10(13-15-9)11(14)8-4-2-1-3-5-8/h1-5,9H,6H2 HUXTVXVAACKYTN-UHFFFAOYAP 3-Benzoyl-4,5-dihydro-isoxazole-5-carbontrile . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4,9,10-Trihydroxy-6-methyl-3-methylene-2-oxa-spiro[4.5]dec-7-en-1-one rel-(4R,5R,6S,9R,10S)-4,9,10-trihydroxy-6-methyl-3-methylene-2-oxaspiro[4.5]dec-7-en-1-one 2-oxaspiro[4.5]dec-7-en-1-one, 4,9,10-trihydroxy-6-methyl-3-methylene-, (5S,6R,9S,10R)- InChI=1/C11H14O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,7-9,12-14H,2H2,1H3/t5-,7+,8-,9+,11-/m1/s1 VYTPSQHQAWGKGW-UCMHOMALBY Massarigenin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(4-hydroxybenzylidene)malononitrile propanedinitrile, [(4-hydroxyphenyl)methylene]- InChI=1/C10H6N2O/c11-6-9(7-12)5-8-1-3-10(13)4-2-8/h1-5,13H FNCOVSWSZZVFBQ-UHFFFAOYAN 2-(4-Hydroxy-benzyliden)-malonitrile . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(4-chlorophenyl)acetonitrile benzeneacetonitrile, 4-chloro- InChI=1/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 IVYMIRMKXZAHRV-UHFFFAOYAK ACETIC ACID,(4-CHLOROPHENYL),NITRILE . Information we have got: NMR spectra 13C, 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethyl (4-hydroxyphenyl)acetate benzeneacetic acid, 4-hydroxy-, ethyl ester InChI=1/C10H12O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 HYUPPKVFCGIMDB-UHFFFAOYAM (4-Hydroxy-phenyl)-acetic acid ethylester . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(2-nitrophenyl)sulfonyl]amino}butanamide butanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2-nitrophenyl)sulfonyl]amino]- InChI=1/C20H25N3O7S/c1-4-15(22-31(27,28)19-8-6-5-7-16(19)23(25)26)20(24)21-12-11-14-9-10-17(29-2)18(13-14)30-3/h5-10,13,15,22H,4,11-12H2,1-3H3,(H,21,24) KLVDXOPDLRJZBC-UHFFFAOYAQ N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-(2-nitro-benzenesulfonylamino)-butyramide . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

But-2-enedioic acid mono-(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-ylmethyl) ester 9-({[(2E)-3-carboxyprop-2-enoyl]oxy}methyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid 2-butenedioic acid, mono[(7-carboxy-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-9-yl)methyl] ester, (2E)- InChI=1/C22H16O12/c1-8-5-12(24)10(6-23)19-15(8)22(31)34-20-11(7-32-14(27)4-3-13(25)26)17(28)16(21(29)30)9(2)18(20)33-19/h3-6,24,28H,7H2,1-2H3,(H,25,26)(H,29,30)/b4-3+ VEGGRTFDFMUBPD-ONEGZZNKBP 9-(3-Carboxy-acryloyloximethyl)-4-formyl-3,8-dihydroxy-1,6-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid Fumarprotocetraric acid . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-hydroxy-5,6,7,8,9,10,11,12,13,14-decahydro-10,13-epoxy-5,10-cycloretinol 5,10-cycloretinol, 10,13-epoxy-5,6,7,8,9,10,11,12,13,14-decahydro-2-hydroxy- InChI=1/C20H36O3/c1-14-6-7-15-17(2,3)16(22)8-9-19(15,5)20(14)11-10-18(4,23-20)12-13-21/h14-16,21-22H,6-13H2,1-5H3 IFDKAJZHSHFNDP-UHFFFAOYAD Mopaneol A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,9,9-Trimethyl-11-oxa-bicyclo[8.2.1]tridec-1(13)-ene-6,12-dione 5,9,9-trimethyl-11-oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione 11-oxabicyclo[8.2.1]tridec-1(13)-ene-6,12-dione, 5,9,9-trimethyl- InChI=1/C15H22O3/c1-10-5-4-6-11-9-13(18-14(11)17)15(2,3)8-7-12(10)16/h9-10,13H,4-8H2,1-3H3 LLGOQLGIEBQDFP-UHFFFAOYAU 8-Oxo-6,7,9,10-tetrahydrohumulen-1,12-olide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(4-Hydroxy-phenyl)-acrylic acid 3-{2-(4-hydroxy-3-methoxy-phenyl)-3-[3-(4-hydroxy-3-methoxy-phenyl)-acryloyloxymethyl]-7-methoxy-2,3-dihydro-benzofuran-5-yl}-allyl ester [(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-5-((1E)-3-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}prop-1-en-1-yl)-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl rel-(2E)-3-(4-hydroxy-3-methoxyphenyl)acrylat 2-propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, [(2R,3S)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-[(1E)-3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1-propenyl]-7-methoxy-3-benzofuranyl]met InChI=1/C39H36O11/c1-45-33-20-25(8-14-31(33)41)10-17-37(44)49-23-30-29-19-26(5-4-18-48-36(43)16-9-24-6-12-28(40)13-7-24)21-35(47-3)39(29)50-38(30)27-11-15-32(42)34(22-27)46-2/h4-17,19-22,30,38,40-42H,18,23H2,1-3H3/b5-4+,16-9+,17-10+/t30-,38+/m1/s1 RSPVKTUWOXRFIO-YMLDSBTCBD 2-(4-Hydroxy-3-methoxyphenyl)-5-[3-(4-hydroxycinnamoyloxy)-1-propenyl]-3-(4-hydroxy-3-methoxycinnamoyloxymethyl)-7-methoxybenzodihydrofuran Boehmenan K . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17-(1,5-Dimethyl-hexa-3,5-dienyl)-4,4,13,14-tetramethyl-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-one (8xi,9beta,17alpha,20S,23E)-9,19-cyclolanosta-23,25-dien-3-one 9,19-cyclolanosta-23,25-dien-3-one, (8xi,9beta,17alpha,23E)- InChI=1/C30H46O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h8-9,21-24H,1,10-19H2,2-7H3/b9-8+/t21-,22-,23-,24?,27+,28-,29+,30-/m0/s1 ZFWLTWOZGSIECZ-DIIBCSGUBQ Cycloarta-23,25-dien-3-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-methylbuta-1,2-diene 1,2-butadiene, 3-methyl- InChI=1/C5H8/c1-4-5(2)3/h1H2,2-3H3 PAKGDPSCXSUALC-UHFFFAOYAM . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,3-dimethylbuta-1,3-diene 1,3-butadiene, 2,3-dimethyl- InChI=1/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3 SDJHPPZKZZWAKF-UHFFFAOYAQ 2,3-dimethyl-1,3-butadiene . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

cyclohexane cyclohexane InChI=1/C6H12/c1-2-4-6-5-3-1/h1-6H2 XDTMQSROBMDMFD-UHFFFAOYAZ cyclohexane . Information we have got: NMR spectra 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

cycloheptane cycloheptane InChI=1/C7H14/c1-2-4-6-7-5-3-1/h1-7H2 DMEGYFMYUHOHGS-UHFFFAOYAF cycloheptane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(5aR,5bS,10aR,15bR,16aS)-2,8,13-trihydroxy-16a-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,12-bis(3-methylbut-2-en-1-yl)-5a,16a-dihydro-5H,5bH-[1]benzofuro[2,3-b]chromeno[3',2':4,5]furo[2,3-c]ch beta-D-glucopyranoside, 2-methyl-4-oxo-4H-pyran-3-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate) InChI=1/C45H44O9/c1-23(2)7-10-26-19-28(12-17-34(26)47)45-40(41(50)32-20-27(11-8-24(3)4)36(49)22-38(32)53-45)39-31-15-13-29(46)21-37(31)51-43-44(39,54-45)33-16-18-35(48)30(42(33)52-43)14-9-25(5)6/h7-9,12-13,15-22,39-40,43,46-49H,10-11,14H2,1-6H3/t39-,40-, IUNNUKJWKPJUCQ-AHJAKLPMBX Licoagrodin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Hydroxy-3-methyl-pentanedioic acid mono-[3,4,5-trihydroxy-6-(2-methyl-4-oxo-4H-pyran-3-yloxy)-tetrahydro-pyran-2-ylmethyl] ester 2-methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-glucopyranoside beta-D-glucopyranoside, 2-methyl-4-oxo-4H-pyran-3-yl, 6-(4-carboxy-3-hydroxy-3-methylbutanoate) InChI=1/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1 WCVUIHQUPRXYKT-RGCIIANRBL Licoagroside B Maltol 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)]-β-D-glucopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-Hydroxymethyl-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,6-tetrahydro-cyclopenta[c]pyran-4-carboxylic acid methyl ester methyl rel-(1R)-1-(beta-L-glucopyranosyloxy)-7-(hydroxymethyl)-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylate cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6-tetrahydro-7-(hydroxymethyl)-, methyl ester, (1S)- InChI=1/C17H24O10/c1-24-15(23)9-6-25-16(11-7(4-18)2-3-8(9)11)27-17-14(22)13(21)12(20)10(5-19)26-17/h6,8,10,12-14,16-22H,2-5H2,1H3/t8?,10-,12-,13+,14-,16+,17+/m1/s1 VGLLGNISLBPZNL-KPZBCUPXBR Arborescoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-Hydroxymethyl-6-[3-(4-hydroxy-2,2,6-trimethyl-7-oxa-bicyclo[4.1.0]hept-1-yl)-1-methyl-allyloxy]-tetrahydro-pyran-3,4,5-triol (1R,2E)-3-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-1-methylprop-2-en-1-yl rel-beta-D-glucopyranoside beta-D-glucopyranoside, (1R,2E)-3-[(1R,4S,6S)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-1-methyl-2-propenyl InChI=1/C19H32O8/c1-10(25-16-15(24)14(23)13(22)12(9-20)26-16)5-6-19-17(2,3)7-11(21)8-18(19,4)27-19/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11+,12-,13-,14+,15-,16-,18+,19-/m1/s1 RIUMIKAUMHZQMP-IQUVFKTMBX (3S,5S,6R,9R)-3-Hydroxy-5,6-epoxy-β-ionol-9-O-β-glucopyranoside Phlomuroside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

cyclopropyl(1H-pyrrol-2-yl)methanone methanone, cyclopropyl-1H-pyrrol-2-yl- InChI=1/C8H9NO/c10-8(6-3-4-6)7-2-1-5-9-7/h1-2,5-6,9H,3-4H2 ZLIALWQERQHNJE-UHFFFAOYAE Cyclopropyl-(1H-pyrrol-2-yl)-methanone . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-iodopropane propane, 1-iodo- InChI=1/C3H7I/c1-2-3-4/h2-3H2,1H3 PVWOIHVRPOBWPI-UHFFFAOYAJ 1-iodopropane . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-iodopropane propane, 2-iodo- InChI=1/C3H7I/c1-3(2)4/h3H,1-2H3 FMKOJHQHASLBPH-UHFFFAOYAJ 2-IODO-PROPANE . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-chloro-2-methylpropane propane, 2-chloro-2-methyl- InChI=1/C4H9Cl/c1-4(2,3)5/h1-3H3 NBRKLOOSMBRFMH-UHFFFAOYAL PROPANE,2-CHLORO,2-METHYL TERT.BUTYL,CHLORIDE . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-bromo-2-methylpropane propane, 2-bromo-2-methyl- InChI=1/C4H9Br/c1-4(2,3)5/h1-3H3 RKSOPLXZQNSWAS-UHFFFAOYAL 2-bromo-2-methylpropane t-butyl bromide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-chlorobutane butane, 2-chloro- InChI=1/C4H9Cl/c1-3-4(2)5/h4H,3H2,1-2H3 BSPCSKHALVHRSR-UHFFFAOYAV 2-chlorobutane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-bromobutane butane, 2-bromo- InChI=1/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3 UPSXAPQYNGXVBF-UHFFFAOYAN 2-bromobutane . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-chloro-2-methylpropane propane, 1-chloro-2-methyl- InChI=1/C4H9Cl/c1-4(2)3-5/h4H,3H2,1-2H3 QTBFPMKWQKYFLR-UHFFFAOYAO 2-chloro-2-methylpropane isobutyl chloride . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

dichloromethane methane, dichloro- InChI=1/CH2Cl2/c2-1-3/h1H2 YMWUJEATGCHHMB-UHFFFAOYAG dichloromethane . Information we have got: NMR spectra 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

bromo(chloro)methane methane, bromochloro- InChI=1/CH2BrCl/c2-1-3/h1H2 JPOXNPPZZKNXOV-UHFFFAOYAI bromochloromethane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

dibromomethane methane, dibromo- InChI=1/CH2Br2/c2-1-3/h1H2 FJBFPHVGVWTDIP-UHFFFAOYAK dibromomethane . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,2-dichloroethane ethane, 1,2-dichloro- InChI=1/C2H4Cl2/c3-1-2-4/h1-2H2 WSLDOOZREJYCGB-UHFFFAOYAL 1,2-dichloroethane . Information we have got: NMR spectra 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,2-diiodoethane ethane, 1,2-diiodo- InChI=1/C2H4I2/c3-1-2-4/h1-2H2 GBBZLMLLFVFKJM-UHFFFAOYAR 1,2-diiodoethane . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

7-(3,4-Dihydroxy-phenyl)-4-methoxy-5-(3-methyl-but-2-enyl)-7,8-dihydro-furo[2,3-f]chromen-9-one 7-(3,4-dihydroxyphenyl)-4-methoxy-5-(3-methylbut-2-en-1-yl)-7,8-dihydro-9H-furo[2,3-f]chromen-9-one 9H-furo[2,3-f][1]benzopyran-9-one, 7-(3,4-dihydroxyphenyl)-7,8-dihydro-4-methoxy-5-(3-methyl-2-butenyl)- InChI=1/C23H22O6/c1-12(2)4-6-14-21(27-3)15-8-9-28-22(15)20-18(26)11-19(29-23(14)20)13-5-7-16(24)17(25)10-13/h4-5,7-10,19,24-25H,6,11H2,1-3H3 POMYWCNEUNRBFJ-UHFFFAOYAM 3',4'-Dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-furano(4'',5'':6,5)-flavanone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(2,2-Dimethyl-2H-chromen-6-yl)-ethanol 2-(2,2-dimethyl-2H-chromen-6-yl)ethanol 2H-1-benzopyran-6-ethanol, 2,2-dimethyl- InChI=1/C13H16O2/c1-13(2)7-5-11-9-10(6-8-14)3-4-12(11)15-13/h3-5,7,9,14H,6,8H2,1-2H3 LYDCGGUVPCALHC-UHFFFAOYAL 6-(2-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

12-(3,4-Dihydroxy-phenyl)-20-ethylidene-16,17,18-trihydroxy-9-oxo-2,4,10,13,19-pentaoxa-tricyclo[13.3.1.1^(3,7)]icos-5-ene-6-carboxylic acid methyl ester methyl rel-(1R,3R,7R,12S,15S,16R,17R,18S,20E)-12-(3,4-dihydroxyphenyl)-20-ethylidene-16,17,18-trihydroxy-9-oxo-2,4,10,13,19-pentaoxatricyclo[13.3.1.1~3,7~]icos-5-ene-6-carboxylate (non-preferred name) D-glucitol, 1,5-anhydro-1-C-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, (1R)- InChI=1/C25H30O13/c1-3-12-13-7-19(28)35-9-17(11-4-5-15(26)16(27)6-11)34-10-18-20(29)21(30)22(31)25(37-18)38-24(12)36-8-14(13)23(32)33-2/h3-6,8,13,17-18,20-22,24-27,29-31H,7,9-10H2,1-2H3/b12-3+/t13-,17-,18+,20+,21-,22+,24-,25-/m0/s1 QVUZRUJONIJRDT-PPKUYGORBW Fraxamoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-Hydroxy-5-methyl-2-(2-oxo-propyl)-8-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-chromen-4-one (1R)-1,5-anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]glucitol D-glucitol, 1,5-anhydro-1-C-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-1-benzopyran-8-yl]-, (1S)- InChI=1/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16+,17-,19-/m1/s1 HKIKAXXIWJHWLY-KUKYYBAEBV Aloesin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

methyl rel-(1'R,2R,4a'R,5a'R,10a'R)-5,6-dimethoxy-1'-methyl-3-oxo-1,3,5',5a',7',8',10',10a'-octahydro-1'H,4a'H-spiro[indole-2,6'-pyrano[3,4-f]indolizine]-4'-carboxylate spiro[2H-indole-2,6'(10'H)-[1H]pyrano[3,4-f]indolizine]-4'-carboxylic acid, 1,3,4'a,5',5'a,7',8',10'a-octahydro-5,6-dimethoxy-1'-methyl-3-oxo-, methyl ester, (1'S,2S,4a'S,5a'S,10a'S)- InChI=1/C23H28N2O6/c1-12-15-10-25-6-5-23(20(25)8-13(15)16(11-31-12)22(27)30-4)21(26)14-7-18(28-2)19(29-3)9-17(14)24-23/h7,9,11-13,15,20,24H,5-6,8,10H2,1-4H3/t12-,13-,15-,20-,23-/m0/s1 BSQCYJALKUSFFD-GCIZAMGCBB (2S,3S,15S,19S,20S)-isoreserpiline pseudoindoxyl isoreserpiline pseudoindoxyl . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

11-hydroxy-8,8-dimethyl-6-oxa-3-thia-tricyclo[7.2.1.0^(1,7)]dodecan-5-one rel-(5aR,6S,8R,9aS)-6-hydroxy-9,9-dimethyltetrahydro-6H-5a,8-methano-1,4-benzoxathiepin-2-one 6H-5a,8-methano-5H-1,4-benzoxathiepin-2(3H)-one, tetrahydro-6-hydroxy-9,9-dimethyl-, (5aR,6S,8R,9aS)- InChI=1/C12H18O3S/c1-11(2)7-3-8(13)12(4-7)6-16-5-9(14)15-10(11)12/h7-8,10,13H,3-6H2,1-2H3/t7-,8-,10-,12+/m0/s1 MZQJTYOGJWZLAA-PRLGWJNPBA (1R)(7S)(9R)(11S)-11-Hydroxy-8,8-dimethyl-6-oxa-5-oxo-3-thiatricyclo[7.2.1.0^(1,7)]dodecane . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,1,2,2-tetrabromoethane ethane, 1,1,2,2-tetrabromo- InChI=1/C2H2Br4/c3-1(4)2(5)6/h1-2H QXSZNDIIPUOQMB-UHFFFAOYAD 1,1,2,2-tetrabromoethane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,1,1,2-tetrachloroethane ethane, 1,1,1,2-tetrachloro- InChI=1/C2H2Cl4/c3-1-2(4,5)6/h1H2 QVLAWKAXOMEXPM-UHFFFAOYAE 1,1,1,2-tetrachloroethane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,1,1-trifluoro-2-iodoethane ethane, 1,1,1-trifluoro-2-iodo- InChI=1/C2H2F3I/c3-2(4,5)1-6/h1H2 RKOUFQLNMRAACI-UHFFFAOYAI 1,1,1-trifluoro-2-iodoethane . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,2,3,4-tetrachlorobutane butane, 1,2,3,4-tetrachloro- InChI=1/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2 IXZVKECRTHXEEW-UHFFFAOYAW dl-1,2,3,4-tetrachlorobutane . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,1,1,2,2-pentachloroethane ethane, 1,1,1,2,2-pentachloro- InChI=1/C2HCl5/c3-1(4)2(5,6)7/h1H BNIXVQGCZULYKV-UHFFFAOYAS pentachloroethane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-Hydroxymethyl-1-oxo-1λ^(4)-[1,2]dithiolan-4-ol rel-(3R,4R)-3-(hydroxymethyl)-1,2-dithiolan-4-ol 1-oxide 1,2-dithiolane-3-methanol, 4-hydroxy-, 1-oxide, (3R,4R)- InChI=1/C4H8O3S2/c5-1-4-3(6)2-9(7)8-4/h3-6H,1-2H2/t3-,4-,9?/m1/s1 FBEPLWIKYAOEET-TVCDAZOZBY (1S,3R,4R)-(+)-4-Hydroxy-3-hydroxymethyl-1,2-dithiolane-1-oxide Zeylanoxide A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-(3,9-Dihydroxy-4,4,10,13,17-pentamethyl-2,3,4,5,6,7,8,9,10,11,12,13,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-4-hydroxy-2-methyl-hept-2-enoic acid methyl ester methyl (3alpha,5alpha,13alpha,17alpha,24E)-3,9,23-trihydroxy-4,4,17-trimethylcholesta-14,24-dien-26-oate cholesta-14,24-dien-26-oic acid, 3,9,23-trihydroxy-4,4,17-trimethyl-, methyl ester, (3alpha,5alpha,13alpha,17alpha,24E)- InChI=1/C31H50O5/c1-19(26(34)36-8)17-21(32)18-20(2)28(5)13-11-22-23-9-10-24-27(3,4)25(33)12-14-30(24,7)31(23,35)16-15-29(22,28)6/h11,17,20-21,23-25,32-33,35H,9-10,12-16,18H2,1-8H3/b19-17+/t20-,21?,23+,24+,25-,28+,29-,30+,31-/m1/s1 CIVHEWNEBOOQEN-DMQZOWAFBA Methyl (24E)-3α,9,23-trihydroxy-17,14-friedolanostan-14,24-dien-26-oate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(17beta,23R)-4,5-didehydro-5,6-dihydro-17,23-epoxyveratraman-3,11-dione spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridine]-3,11-dione, 1,2,3'a,4',5,5',6,6',6a,6b,7,7',7'a,8,11a,11b-hexadecahydro-3',6',10,11b-tetramethyl-, (3a'S,6'S,6aS,6bS,7a'R,9R,11aS,11bR)- InChI=1/C27H37NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h12,14,16,19-21,23-24,28H,5-11,13H2,1-4H3/t14-,16?,19-,20-,21+,23+,24-,26-,27-/m0/s1 KLTPAUQDYRELPI-JIPSWRKYBM (-)-Jervinone (23R)-17,23-epoxy-veratra-4,12-diene-3,11-dione . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(4bR,9bS,12R,13S,14S)-14-hydroxy-4,6,7-trimethoxy-N,N-dimethyl-12-phenyl-4b,9b-propano[1]benzofuro[2',3':4,5]furo[2,3-f][1,3]benzodioxole-13-carboxamide 4b,9b-propanobenzofuro[2',3':4,5]furo[2,3-f]-1,3-benzodioxole-13-carboxamide, 14-hydroxy-4,6,7-trimethoxy-N,N-dimethyl-12-phenyl-, (4bS,9bR,12S,13R,14R)- InChI=1/C30H29NO9/c1-31(2)28(33)20-21(15-9-7-6-8-10-15)29-16-11-12-17(34-3)24(35-4)23(16)40-30(29,27(20)32)22-18(39-29)13-19-25(26(22)36-5)38-14-37-19/h6-13,20-21,27,32H,14H2,1-5H3/t20-,21-,27-,29+,30+/m1/s1 VCNFLHICFOZCQD-VEHKLXOOBQ 6-Demethoxy-8b,10-epoxy-11-methoxy-6,7-methylendioxyrocaglamide Cyclorocaglamide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-Hydroxymethyl-6-(10-hydroxy-2-oxa-tricyclo[13.2.2.1^(3,7)]icosa-1(18),3(20),4,6,15(19),16-hexaen-4-yloxy)-tetrahydro-pyran-3,4,5-triol 10-hydroxy-2-oxatricyclo[13.2.2.1~3,7~]icosa-1(17),3(20),4,6,15,18-hexaen-4-yl hexopyranoside hexopyranoside, (10R)-10-hydroxy-2-oxatricyclo[13.2.2.1~3,7~]eicosa-3,5,7(20),15,17,18-hexaen-4-yl InChI=1/C25H32O8/c26-14-21-22(28)23(29)24(30)25(33-21)32-19-12-8-16-5-9-17(27)4-2-1-3-15-6-10-18(11-7-15)31-20(19)13-16/h6-8,10-13,17,21-30H,1-5,9,14H2/t17-,21?,22?,23?,24?,25?/m1/s1 JTRDCQXYJNZURE-ZQALXHIHBC Aceroside B1 . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N~2~-acetyl-N-allylleucinamide pentanamide, 2-(acetylamino)-4-methyl-N-2-propenyl- InChI=1/C11H20N2O2/c1-5-6-12-11(15)10(7-8(2)3)13-9(4)14/h5,8,10H,1,6-7H2,2-4H3,(H,12,15)(H,13,14) XVEVBXBTVVHOSP-UHFFFAOYAU 2-Acetylamino-4-methyl-pentanoic acid allylamide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,3-dichloro-2,2-bis(chloromethyl)propane propane, 1,3-dichloro-2,2-bis(chloromethyl)- InChI=1/C5H8Cl4/c6-1-5(2-7,3-8)4-9/h1-4H2 KPZGRMZPZLOPBS-UHFFFAOYAK pentaerythrityl tetrachloride . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

6-[3,4-Dimethyl-5-(3,4,5-trimethoxy-phenyl)-tetrahydro-furan-2-yl]-4-methoxy-benzo[1,3]dioxole rel-6-[(2R,3S,4S,5S)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl]-4-methoxy-1,3-benzodioxole 1,3-benzodioxole, 4-methoxy-6-[(2S,3R,4R,5R)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]- InChI=1/C23H28O7/c1-12-13(2)21(15-9-18(26-5)23-19(10-15)28-11-29-23)30-20(12)14-7-16(24-3)22(27-6)17(8-14)25-4/h7-10,12-13,20-21H,11H2,1-6H3/t12-,13-,20-,21+/m1/s1 RKSBJQZDPAGEQW-JRWOZQDABK (7R,8R,7'S,8'R)-3',4'-Methylenedioxy-3,4,5,5'-tetramethoxy-7,7'-epoxylignan . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-(4-methoxy-phenyl)-propan-1-one 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one 1-propanone, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-methoxyphenyl)- InChI=1/C17H18O5/c1-21-13-6-3-11(4-7-13)5-8-14(19)17-15(20)9-12(18)10-16(17)22-2/h3-4,6-7,9-10,18,20H,5,8H2,1-2H3 SGAQUVXWXIVPKX-UHFFFAOYAB 2',4'-Dihydroxy-4,6'-dimethoxydihydrochalcone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-(3-Hydroxy-3-methyl-2-oxo-butyl)-6-methoxy-furo[2,3-h]chromen-2-one 5-(3-hydroxy-3-methyl-2-oxobutyl)-6-methoxy-2H-furo[2,3-h]chromen-2-one 2H-furo[2,3-h]-1-benzopyran-2-one, 5-(3-hydroxy-3-methyl-2-oxobutyl)-6-methoxy- InChI=1/C17H16O6/c1-17(2,20)12(18)8-11-9-4-5-13(19)23-14(9)10-6-7-22-16(10)15(11)21-3/h4-7,20H,8H2,1-3H3 BINPGDKSILOOII-UHFFFAOYAU 6-Methoxy-5-(3-hydroxy-2-oxo-3-methyl-butyl)-angelicin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-(6-Methoxy-benzofuran-2-ylmethyl)-phenol 4-[(6-methoxy-1-benzofuran-2-yl)methyl]phenol phenol, 4-[(6-methoxy-2-benzofuranyl)methyl]- InChI=1/C16H14O3/c1-18-14-7-4-12-9-15(19-16(12)10-14)8-11-2-5-13(17)6-3-11/h2-7,9-10,17H,8H2,1H3 ZKOCXRKGXWMWMT-UHFFFAOYAU 2-(p-Hydroxy-benzyl)-6-methoxy-benzofuran . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

isobutyl allylcarbamate carbamic acid, 2-propenyl-, 2-methylpropyl ester InChI=1/C8H15NO2/c1-4-5-9-8(10)11-6-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10) WIINCQCDOQISJI-UHFFFAOYAU Allyl-carbamic acid isobutyl ester . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-(4,6-Dihydroxy-8-phenyl-oct-1-enyl)-5,6-dihydro-pyran-2-one rel-(6R)-6-[(1E,4R,6R)-4,6-dihydroxy-8-phenyloct-1-en-1-yl]-5,6-dihydro-2H-pyran-2-one 2H-pyran-2-one, 6-[(1E,4R,6R)-4,6-dihydroxy-8-phenyl-1-octenyl]-5,6-dihydro-, (6R)- InChI=1/C19H24O4/c20-16(8-4-9-18-10-5-11-19(22)23-18)14-17(21)13-12-15-6-2-1-3-7-15/h1-7,9,11,16-18,20-21H,8,10,12-14H2/b9-4+/t16-,17-,18+/m1/s1 QSFJVCDVSIBMCG-CMFXGKTQBT 6R-(4'R,6'R-Dihydroxy-8'-phenyloct-1'-enyl)-5,6-dihydro-2-pyrone Strictifolione . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

dimethyl 5,12-dihydroindolo[2',3':5,6]cycloocta[1,2-b]indole-6,13-dicarboxylate (non-preferred name) hydrazine, methyl- InChI=1/C24H18N2O4/c1-29-23(27)17-11-15-13-7-3-6-10-20(13)26-22(15)18(24(28)30-2)12-16-14-8-4-5-9-19(14)25-21(16)17/h3-12,25-26H,1-2H3/b15-11-,16-12-,17-11+,18-12+,21-17-,22-18- PVWALMHWUOWPPA-HCOJNGAVBG 5,12-Dihydro-cycloocta[1,2-b;5,6-b']diindole-6,13-dicarboxylic acid dimethyl ester Caulerpin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17-methoxy-18-oxatetracyclo[8.7.1.1~2,15~.1~3,7~]icosa-1,3(20),4,6,15(19),16-hexaen-4-ol (non-preferred name) InChI=1/C20H22O3/c1-22-19-12-14-4-2-3-5-15-8-6-13-7-9-18(21)16(10-13)17(11-14)20(19)23-15/h7,9-12,15,21H,2-6,8H2,1H3 KQUHZCNOJKJULS-HNNXBMFYBK Myricarborin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

methylhydrazine hydrazine, methyl- InChI=1/CH6N2/c1-3-2/h3H,2H2,1H3 HDZGCSFEDULWCS-UHFFFAOYAV Methyl Hydrazine methylhydrazine . Information we have got: NMR spectra 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

rel-[rel-(1R,2S,5R,8Z,10E,14R,17R,18R,21R,22R,23S,26R,29Z,31E,35R,38R,39R,42R)-14,21,35,42-tetrahydroxy-1,2,22,23-tetra(hydroxy-kappaO)-5,17,21,26,38,42-hexamethyl-4,25,43,44-tetraoxatricyclo[37.3.1.1 3-furanpropanoic acid, 2,5-dihydro-4-hydroxy-2-oxo-alpha,beta-diphenyl-5-(phenylmethylene)-, methyl ester, (alphaR,betaS,5Z)- InChI=1/C46H68BO16/c1-29-19-15-11-7-9-13-17-21-33(48)28-36(51)32(4)38-24-26-44(6,55)46(59-38)40-42(53)57-30(2)20-16-12-8-10-14-18-22-34(49)27-35(50)31(3)37-23-25-43(5,54)45(58-37)39(41(52)56-29)60-47(61-40,62-45)63-46/h7-14,29-34,37-40,48-49,54-55H,15-28 WOJDVSNFPBXUGQ-CQDKOUPZBT Tartrolone C . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,3,2',3'-Tetrahydro-[1,1']biindenylidene (1Z)-2,2',3,3'-tetrahydro-1,1'-biindene InChI=1/C18H16/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-8H,9-12H2/b18-17- HLSBTOHZBUYMFU-ZCXUNETKBO (Z)-2,3,2',3'-Tetrahydro-[1,1']biindenylidene 1-(1-Indanyliden)indan . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-(5-Benzylidene-4-hydroxy-2-oxo-2,5-dihydro-furan-3-yl)-2,3-diphenyl-propionic acid methyl ester methyl rel-(2R,3S)-3-[(5Z)-5-benzylidene-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl]-2,3-diphenylpropanoate 3-furanpropanoic acid, 2,5-dihydro-4-hydroxy-2-oxo-alpha,beta-diphenyl-5-(phenylmethylene)-, methyl ester, (alphaR,betaR,5Z)- InChI=1/C27H22O5/c1-31-26(29)23(20-15-9-4-10-16-20)22(19-13-7-3-8-14-19)24-25(28)21(32-27(24)30)17-18-11-5-2-6-12-18/h2-17,22-23,28H,1H3/b21-17-/t22-,23+/m1/s1 DFRUUMWSIQRNGP-QQJXCHMEBL Pulveraven A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-Methoxy-dodec-4-enoic acid [2-(6-hydroxy-3-methyl-2-oxo-cyclohex-3-enyl)-2-methoxy-ethyl]-amide rel-(4E,7R)-N-{(2R)-2-[(1R,6R)-6-hydroxy-3-methyl-2-oxocyclohex-3-en-1-yl]-2-methoxyethyl}-7-methoxydodec-4-enamide 4-dodecenamide, N-[(2S)-2-[(1S,6S)-6-hydroxy-3-methyl-2-oxo-3-cyclohexen-1-yl]-2-methoxyethyl]-7-methoxy-, (4E,7S)- InChI=1/C23H39NO5/c1-5-6-8-11-18(28-3)12-9-7-10-13-21(26)24-16-20(29-4)22-19(25)15-14-17(2)23(22)27/h7,9,14,18-20,22,25H,5-6,8,10-13,15-16H2,1-4H3,(H,24,26)/b9-7+/t18-,19-,20+,22-/m0/s1 CERISUFCIISKED-GHCVQRJKBF Malyngamide U . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(4aR,10R,11aR)-10-hydroxy-8-isopropyl-7-methoxy-1,1-dimethyl-1,2,3,4,5,10,11,11a-octahydro-4a,10-epoxydibenzo[a,d][7]annulene-6,9-dione 4a,10-epoxy-4aH-dibenzo[a,d]cycloheptene-6,9-dione, 1,2,3,4,5,10,11,11a-octahydro-10-hydroxy-7-methoxy-1,1-dimethyl-8-(1-methylethyl)-, (4aS,10S,11aS)- InChI=1/C21H28O5/c1-11(2)14-17(23)15-12(16(22)18(14)25-5)9-20-8-6-7-19(3,4)13(20)10-21(15,24)26-20/h11,13,24H,6-10H2,1-5H3/t13-,20-,21-/m0/s1 DUWHKUPNNGPNFK-ZEWGMFERBJ Komaroviquinone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

10-(5,8-Dihydroxy-10-methoxy-2-methyl-4-oxo-4H-benzo[h]chromen-9-yl)-5-hydroxy-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one 10-(5,8-dihydroxy-10-methoxy-2-methyl-4-oxo-4H-benzo[h]chromen-9-yl)-5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one 4H-naphtho[2,3-b]pyran-4-one, 10-(5,8-dihydroxy-10-methoxy-2-methyl-4-oxo-4H-naphtho[1,2-b]pyran-9-yl)-5-hydroxy-6,8-dimethoxy-2-methyl- InChI=1/C31H24O10/c1-12-6-17(32)25-19(34)8-14-9-20(35)26(29(39-5)22(14)30(25)40-12)24-16-10-15(37-3)11-21(38-4)23(16)28(36)27-18(33)7-13(2)41-31(24)27/h6-11,34-36H,1-5H3 XZZGTSQLYYUXTL-UHFFFAOYAD Asperpyrone A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(1R,7R,14bR)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol 7-oxide 4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol, 1,5,6,8,9,14b-hexahydro-2-methoxy-, 7-oxide, (1S,7S,14bS)- InChI=1/C18H21NO5/c1-22-15-9-18-4-2-5-19(18,21)6-3-11-7-13-14(24-10-23-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18?,19+/m1/s1 AZWNRVNQMXFTSX-VPQXAQPCBN Cephalotaxine α-N-oxide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(1beta,3beta,16beta,23S)-3,23-dihydroxyspirosta-5,25(27)-dien-1-yl 4-O-acetyl-6-deoxy-3-O-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]hexopyranosyl-(1->2)-[pentopyranosyl-(1->3)]pentopyranosi pentopyranoside, (1beta,3beta,23S)-3,23-dihydroxyspirosta-5,25(27)-dien-1-yl O--4-O-acetyl-6-deoxy-3-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]hexopyranosyl-(1->2)-O-[pentopyranosyl-(1-> InChI=1/C50H76O22/c1-20-11-32(56)50(65-15-20)21(2)34-31(72-50)14-28-26-8-7-24-12-25(53)13-33(48(24,6)27(26)9-10-47(28,34)5)68-45-41(39(30(55)17-63-45)69-43-36(58)35(57)29(54)16-62-43)71-44-37(59)40(38(22(3)66-44)67-23(4)52)70-46-42(60)49(61,18-51)19-64-4 LQVHUXJTFQZCFZ-QESPPYALBN (23S)-3β,23-Dihydroxyspirosta-5,25(27)-dien-1β-yl O-β-D-apiofuranosyl-(1->3)-O-(4-O-acetyl-α-L-rhamnopyranosyl)-(1->2)-O-[β-D-xylopyranosyl-(1->3)]-α-L-arabinopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(1alpha,6alpha,9xi,10xi,14alpha,16beta)-14-(acetyloxy)-20-ethyl-3-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-8-yl (2E)-3-phenylacrylate 2-propenoic acid, 3-phenyl-, (1alpha,6alpha,9xi,10xi,14alpha,16beta)-14-(acetyloxy)-20-ethyl-3-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-8-yl ester, (2E)- InChI=1/C36H49NO9/c1-7-37-18-34(19-41-3)25(39)16-26(43-5)36-23-15-22-24(42-4)17-35(28(23)30(22)45-20(2)38,29(33(36)37)31(44-6)32(34)36)46-27(40)14-13-21-11-9-8-10-12-21/h8-14,22-26,28-33,39H,7,15-19H2,1-6H3/b14-13+/t22-,23?,24+,25?,26+,28?,29+,30+,31+,32 GEEMTDQCJBQOPP-MOYVJWSXBJ Leueantine A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2E)-2-[(3aR,9Z,9bS,10S,11aS,14aR,19aR,23aR,23bR,23cS,24aS)-2,3,11,11a,13,14,21,23a,23b,23c,24,24a-dodecahydro-9bH,10H,19aH-10,12-ethano-1,23-methanoindolo[1',2',3':1,10]oxepino[2',3',4':6,7]pyrro ethanol, 2-[(3aR,9Z,9bS,10S,11aS,14aR,19aR,23aR,23bR,23cS,24aS)-2,3,11,11a,13,14,21,23a,23b,23c,24,24a-dodecahydro-10,12-ethano-1,23-methano-9bH,10H,19aH-indolo[1',2',3':1,10]oxepino[2',3',4':6,7]pyrr InChI=1/C38H40N4O2/c43-15-9-22-19-39-13-11-37-28-6-2-4-8-30(28)42-34(37)26(24(22)17-31(37)39)21-41-29-7-3-1-5-27(29)38-12-14-40-20-23-10-16-44-36(42)33(35(38)41)25(23)18-32(38)40/h1-10,21,24-25,31-36,43H,11-20H2/b22-9-,26-21-/t24-,25-,31-,32-,33+,34-,35- UKMBKHIMUPGXNJ-YHFZEQPGBW iso-Caracurine V . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(2R,3aR,6aS,8aS,12aS,12bR,13bS)-3a-hydroxy-2-methoxy-6a,9,9,12a-tetramethyl-2,3,3a,6a,7,8,8a,9,10,11,12,12a,12b,13b-tetradecahydro-4H-benzo[a]furo[3,2-j]xanthen-4-one 4H-benzo[a]furo[3,2-j]xanthen-4-one, 2,3,3a,6a,7,8,8a,9,10,11,12,12a,12b,13b-tetradecahydro-3a-hydroxy-2-methoxy-6a,9,9,12a-tetramethyl-, (2R,3aR,6aS,8aS,12aS,12bR,13bS)- InChI=1/C24H34O5/c1-21(2)8-6-9-22(3)16(21)7-10-23(4)17(22)11-14-15(29-23)12-18(25)24(26)13-19(27-5)28-20(14)24/h11-12,16-17,19-20,26H,6-10,13H2,1-5H3/t16-,17+,19+,20-,22-,23-,24-/m0/s1 CMULOZRGTMXKCI-YIKRVMLOBC Hyrtenone A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Benzyl-21-(1-hydroxy-ethyl)-15-(1H-indol-3-ylmethyl)-18-isobutyl-1,4,7,13,16,19,22-heptaaza-tricyclo[22.3.0.0^(9,13)]heptacosane-2,5,8,14,17,20,23-heptaone cyclo(glycyl-D-prolyl-D-threonyl-D-leucyltryptophyl-D-prolyl-rel-D-phenylalanyl) 2(5H)-furanone, 5-[(2S,6Z,8E)-2,6-dimethyl-9-[(7S)-4,5,6,7-tetrahydro-7-methyl-7-benzofuranyl]-6,8-nonadienylidene]-4-hydroxy-3-methyl-, (5Z)- InChI=1/C42H54N8O8/c1-24(2)19-30-38(54)47-32(21-27-22-43-29-14-8-7-13-28(27)29)42(58)50-18-10-16-34(50)39(55)45-31(20-26-11-5-4-6-12-26)37(53)44-23-35(52)49-17-9-15-33(49)40(56)48-36(25(3)51)41(57)46-30/h4-8,11-14,22,24-25,30-34,36,43,51H,9-10,15-21,23H2 GCYCNNNVEBIXIM-NAOJQTJYBQ cyclo-(Pro-Trp-Leu-Thr-Pro-Gly-Phe) Phakellistatin 13 . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 17-{1-[2-(1,2-dimethyl-propyl)-2-methyl-cyclopropyl]-ethyl}-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl ester (3beta,7alpha,12beta)-3,7-dihydroxygorgost-5-en-12-yl acetate InChI=1/C32H52O4/c1-17(2)19(4)31(7)16-26(31)18(3)23-9-10-24-29-25(15-28(32(23,24)8)36-20(5)33)30(6)12-11-22(34)13-21(30)14-27(29)35/h14,17-19,22-29,34-35H,9-13,15-16H2,1-8H3/t18-,19+,22-,23+,24-,25-,26+,27+,28+,29-,30-,31+,32+/m0/s1 CUYULTOZWPGDFW-OZYXUASZBN 12β-Acetoxy-7α-hydroxygorgosterol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-[2,6-Dimethyl-9-(7-methyl-4,5,6,7-tetrahydro-benzofuran-7-yl)-nona-6,8-dienylidene]-4-hydroxy-3-methyl-5H-furan-2-one rel-(5Z)-5-{(2R,6Z,8E)-2,6-dimethyl-9-[(7R)-7-methyl-4,5,6,7-tetrahydro-1-benzofuran-7-yl]nona-6,8-dien-1-ylidene}-4-hydroxy-3-methylfuran-2(5H)-one 2(5H)-furanone, 5-[(2S,6Z,8E)-2,6-dimethyl-9-[(7S)-4,5,6,7-tetrahydro-7-methyl-7-benzofuranyl]-6,8-nonadienylidene]-4-hydroxy-3-methyl-, (5Z)- InChI=1/C25H32O4/c1-17(8-5-9-18(2)16-21-22(26)19(3)24(27)29-21)10-6-13-25(4)14-7-11-20-12-15-28-23(20)25/h6,10,12-13,15-16,18,26H,5,7-9,11,14H2,1-4H3/b13-6+,17-10-,21-16-/t18-,25+/m0/s1 PRWPWIZPRXATNU-IXYXHDSFBM 5-[2,6-Dimethyl-9-(7-methyl-4,5,6,7-tetrahydro-benzofuran-7-yl)-nona-6,8-dienylidene]-4-hydroxy-3-methyl-5H-furan-2-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,7-Dihydroxy-2-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-2-hydroxymethyl-8-methoxy-2,3-dihydro-benzo[1,4]dioxin-6-yl]-chromen-4-one rel-5,7-dihydroxy-2-[(2R,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-chromen-4-one 4H-1-benzopyran-4-one, 2-[(2R,3R)-2,3-dihydro-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(hydroxymethyl)-8-methoxy-1,4-benzodioxin-6-yl]-5,7-dihydroxy- InChI=1/C27H24O11/c1-33-19-6-13(7-20(34-2)25(19)32)26-23(11-28)38-27-21(35-3)4-12(5-22(27)37-26)17-10-16(31)24-15(30)8-14(29)9-18(24)36-17/h4-10,23,26,28-30,32H,11H2,1-3H3/t23-,26-/m1/s1 KIEFQALNZCXSHH-ZEQKJWHPBH Palstatin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Benzoic acid 2,3,9-triacetoxy-5,8a-dihydroxy-1,1,4a,7-tetramethyl-8-oxo-7-vinyl-tetradecahydro-phenanthren-4-yl ester (1alpha,2alpha,3alpha,7alpha,11alpha,13alpha)-2,3,7-tris(acetyloxy)-8,11-dihydroxy-14-oxopimar-15-en-1-yl benzoate 1(2H)-phenanthrenone, 6,7,10-tris(acetyloxy)-5-(benzoyloxy)-2-ethenyldodecahydro-4,10a-dihydroxy-2,4b,8,8-tetramethyl-, (2R,4R,4aS,4bS,5R,6S,7S,8aS,10R,10aR)- InChI=1/C33H42O11/c1-9-31(7)16-21(37)25-32(8)22(15-23(41-17(2)34)33(25,40)29(31)39)30(5,6)26(43-19(4)36)24(42-18(3)35)27(32)44-28(38)20-13-11-10-12-14-20/h9-14,21-27,37,40H,1,15-16H2,2-8H3/t21-,22+,23-,24+,25-,26-,27+,31+,32+,33+/m1/s1 QDTTWWXQZMBONR-FQNFDSBVBQ Orthosiphol U . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-(4-Hydroxy-3-methoxy-benzoyl)-5-(4-hydroxy-phenyl)-1,7-dihydro-pyrrolo[2,3-d]pyrimidine-2,4-dione 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione 1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione, 6-(4-hydroxy-3-methoxybenzoyl)-5-(4-hydroxyphenyl)- InChI=1/C20H15N3O6/c1-29-13-8-10(4-7-12(13)25)17(26)16-14(9-2-5-11(24)6-3-9)15-18(21-16)22-20(28)23-19(15)27/h2-8,24-25H,1H3,(H3,21,22,23,27,28) PXAKFGAZHUXFTE-UHFFFAOYAT Rigidin B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,7-Dimethoxy-2-(2,3,4-trimethoxy-phenyl)-chroman-4-one 5,7-dimethoxy-2-(2,3,4-trimethoxyphenyl)-2,3-dihydro-4H-chromen-4-one 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dimethoxy-2-(2,3,4-trimethoxyphenyl)- InChI=1/C20H22O7/c1-22-11-8-16(24-3)18-13(21)10-15(27-17(18)9-11)12-6-7-14(23-2)20(26-5)19(12)25-4/h6-9,15H,10H2,1-5H3 HZWSAUOBLMSNPL-UHFFFAOYAA 5,7,2',3',4'-Pentamethoxyflavanone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

disodium (3alpha,4beta,8xi,9xi,14xi)-4-hydroxycholestane-3,21-diyl disulfate cholestane-3,4,21-triol, 3,21-bis(hydrogen sulfate), disodium salt, (3alpha,4beta,8xi,9xi,14xi)- InChI=1/C27H48O9S2.2Na/c1-17(2)6-5-7-18(16-35-37(29,30)31)20-10-11-21-19-8-9-23-25(28)24(36-38(32,33)34)13-15-27(23,4)22(19)12-14-26(20,21)3;;/h17-25,28H,5-16H2,1-4H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/t18-,19?,20+,21?,22?,23?,24+,25+,26+,27+;;/m0../s JNMVIKNXQJFFSI-CDFXHZPMBG (20R)-5α-Cholestane-3α,4β,21-triol 3,21-disulfate (20R)-5α-Cholestane-3α,4β,21-triol 3,21-disulfate,disodium salt . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(1R,3aS,4E,6Z,8R,8aS,9R,10R,11R,12R,12aS,13R,13aS)-13a-hydroxy-5-(hydroxymethyl)-1,8a-dimethyl-2-oxo-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-2H-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxirane]-8,9, spiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2H),2'-oxiran]-2-one, 8,9,10,11,13-pentakis(acetyloxy)-1,3a,8,8a,9,10,11,12a,13,13a-decahydro-13a-hydroxy-5-(hydroxymethyl)-1,8a-dimethyl-, (1R,3aS,4E,6Z,8R,8a InChI=1/C30H38O15/c1-13-27(37)45-21-10-19(11-31)8-9-20(40-14(2)32)28(7)23(26(30(13,21)38)44-18(6)36)29(12-39-29)25(43-17(5)35)22(41-15(3)33)24(28)42-16(4)34/h8-10,13,20-26,31,38H,11-12H2,1-7H3/b9-8-,19-10+/t13-,20+,21-,22+,23+,24-,25+,26+,28+,29-,30-/m0/ YRIFCYVSONYKSX-ASGVJJDTBG Juncenolide C . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Benzyl-3-benzylidene-1-hydroxy-3H-pyrazine-2,6-dione (3Z)-5-benzyl-3-benzylidene-1-hydroxypyrazine-2,6(1H,3H)-dione 2,6(1H,3H)-pyrazinedione, 1-hydroxy-5-(phenylmethyl)-3-(phenylmethylene)-, (3Z)- InChI=1/C18H14N2O3/c21-17-15(11-13-7-3-1-4-8-13)19-16(18(22)20(17)23)12-14-9-5-2-6-10-14/h1-11,23H,12H2/b15-11- IXZDGSWOKFRNJQ-PTNGSMBKBR (3Z)-5-Benzyl-3-benzylidene-1-hydroxypyrazine-2,6(1H,3H)-dione Sclerominol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17,29-dihydroxy-6,28,35-trimethoxy-23-methyl-15-oxa-8,23-diazaheptacyclo[20.6.2.2~2,5~.2~11,14~.1~16,20~.0~4,9~.0~26,30~]pentatriaconta-1(28),2,4,6,11,13,16(31),17,19,26,29,32,34-tridecaene-8-carbalde formamide, N-[(1S)-1-[(2R,3S,3aR,9S,12bS)-9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-2-hydroxy-3a,10,10,12b-tetramethylbenzo[4,5]cyclohept[1,2-e]inden-3-yl]ethyl]- InChI=1/C37H36N2O7/c1-38-12-11-23-16-33(44-3)36-27-17-25-26(18-31(27)43-2)34(45-4)19-39(20-40)28(25)13-21-5-8-24(9-6-21)46-32-15-22(7-10-30(32)41)14-29(38)35(23)37(36)42/h5-10,15-20,28-29,41-42H,11-14H2,1-4H3 ANFCLBKOBMSSLU-UHFFFAOYAD (+)-Isothalmidine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N-[1-(9-Dimethylamino-2-hydroxy-3a,10,10,12b-tetramethyl-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-benzo[4,5]cyclohepta[1,2-e]inden-3-yl)-ethyl]-formamide rel-N-{(1R)-1-[(2S,3R,3aS,9R,12bR)-9-(dimethylamino)-2-hydroxy-3a,10,10,12b-tetramethyl-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydrobenzo[4,5]cyclohepta[1,2-e]inden-3-yl]ethyl}formamide formamide, [1-[(2R,3S,3aR,9S,12bS)-9-(dimethylamino)-1,2,3,3a,4,7,8,9,10,10a,11,12,12a,12b-tetradecahydro-2-hydroxy-3a,10,10,12b-tetramethylbenzo[4,5]cyclohept[1,2-e]inden-3-yl]ethyl]- InChI=1/C27H44N2O2/c1-17(28-16-30)24-22(31)15-27(5)21-10-9-20-18(14-19(21)12-13-26(24,27)4)8-11-23(29(6)7)25(20,2)3/h12,14,16-17,20-24,31H,8-11,13,15H2,1-7H3,(H,28,30)/t17-,20?,21?,22+,23-,24-,26+,27-/m0/s1 KIKPXXYWOBPSRR-SQUBVMCSBX (20S)-16α-Hydroxy-20-(formylamino)-3β-(dimethylamino)-9,10-seco-buxa-9(11),10(19)-diene N20-Formylbuxaminol E . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(3R,4aR,10bS)-9-methoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridine-3,8-diol 3H,6H-5,10b-ethanophenanthridine-3,8-diol, 4,4a-dihydro-9-methoxy-, (3R,4aR,10bS)- InChI=1/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16+/m0/s1 TZTBAJFJEZRQCV-IUIKQTSFBI Macowine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-(1-Hydroxy-ethyl)-6,8a-dihydro-4aH-pyrano[3,2-b]pyran-2-one 6-(1-hydroxyethyl)-6,8a-dihydropyrano[3,2-b]pyran-2(4aH)-one pyrano[3,2-b]pyran-2(4aH)-one, 6,8a-dihydro-6-[(1S)-1-hydroxyethyl]- InChI=1/C10H12O4/c1-6(11)7-2-3-9-8(13-7)4-5-10(12)14-9/h2-9,11H,1H3/t6-,7?,8?,9?/m0/s1 YMKWNRDVGOVSHY-JUGFDQIVBQ 6-[(1S)-1-hydroxyethyl]-2,4a,6,8a-tetrahydropyran[3,2-b]pyran-2-one Diplopyrone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 5-(5-formyl-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-naphthalen-1-yl)-3-methyl-pentyl ester 5-[(1R,2S,4aR,8aS)-5-formyl-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpentyl rel-acetate 1-naphthalenecarboxaldehyde, 5-[5-(acetyloxy)-3-methylpentyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, (4aR,5S,6R,8aS)- InChI=1/C22H36O3/c1-16(11-14-25-18(3)24)9-12-21(4)17(2)10-13-22(5)19(15-23)7-6-8-20(21)22/h7,15-17,20H,6,8-14H2,1-5H3/t16?,17-,20-,21+,22-/m1/s1 YDVJPRKDQXYPCK-XHKOOZQBBA 15-Acetoxy-cis-clerodan-3-ene-18-al . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(3alpha,5xi,7beta,8alpha,9beta,10alpha,13alpha)-kaur-16-ene-3,7,19-triol 2-hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2E)- InChI=1/C20H32O3/c1-12-9-20-10-13(12)4-5-14(20)18(2)7-6-16(22)19(3,11-21)15(18)8-17(20)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15?,16-,17+,18+,19-,20?/m1/s1 ZHAIQJLGKAVXSD-BXPYGAQDBH 3α,7β,18-Trihydroxy-ent-kaur-16-ene Foliol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 3,7,11,15-tetramethyl-hexadec-2-enyl ester (2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl acetate 2-hexadecen-1-ol, 3,7,11,15-tetramethyl-, acetate, (2E)- InChI=1/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+ JIGCTXHIECXYRJ-LTGZKZEYBX Phytyl acetate . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 7a-hydroxy-1,7-bis-hydroxymethyl-1,3,3,6-tetramethyl-octahydro-inden-4-yl ester (1R,3aR,4S,6R,7R,7aR)-7a-hydroxy-1,7-bis(hydroxymethyl)-1,3,3,6-tetramethyloctahydro-1H-inden-4-yl rel-acetate 1H-indene-1,7-dimethanol, 4-(acetyloxy)octahydro-7a-hydroxy-1,3,3,6-tetramethyl-, (1R,3aR,4S,6R,7R,7aR)- InChI=1/C17H30O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h10,12-14,18-19,21H,6-9H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1 ZTCADFMXQOOSBU-GKKOWQTJBQ Acetic acid 7a-hydroxy-1,7-bis-hydroxymethyl-1,3,3,6-tetramethyl-octahydro-inden-4-yl ester Botrydiol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(6R,20S,21aR)-8,9-dimethoxy-1,3,4,16,17,20,21,21a-octahydro-2H,6H,18H-12,15-etheno-6,20-methanopyrido[2,1-l][1,9,13]benzodioxazacyclohexadecin-18-one 12,15-etheno-6,20-methano-2H,6H,18H-pyrido[2,1-l][1,9,13]benzodioxaazacyclohexadecin-18-one, 1,3,4,16,17,20,21,21a-octahydro-8,9-dimethoxy-, (6S,20S,21aR)- InChI=1/C26H31NO5/c1-29-24-15-21-22-14-20(13-18-5-3-4-12-27(18)22)32-26(28)11-8-17-6-9-19(10-7-17)31-23(21)16-25(24)30-2/h6-7,9-10,15-16,18,20,22H,3-5,8,11-14H2,1-2H3/t18-,20+,22-/m1/s1 PXXNTAGJWPJAGM-KAGYGMCKBG Vertaline . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

ethane-1,2-diyl (3alpha,8xi,9xi,14xi,3'alpha,8'xi,9'xi,14'xi)bis(3-{[4-(acetyloxy)benzoyl]oxy}cholan-24-oate) cholan-24-oic acid, 3-[[4-(acetyloxy)benzoyl]oxy]-, 1,2-ethanediyl ester, (3alpha,8xi,9xi,14xi,3'alpha,8'xi,9'xi,14'xi)- InChI=1/C68H94O12/c1-41(55-23-25-57-53-21-15-47-39-51(29-33-65(47,5)59(53)31-35-67(55,57)7)79-63(73)45-11-17-49(18-12-45)77-43(3)69)9-27-61(71)75-37-38-76-62(72)28-10-42(2)56-24-26-58-54-22-16-48-40-52(30-34-66(48,6)60(54)32-36-68(56,58)8)80-64(74)46-13- ONENRTNVCPNWAY-SZCNFENCBW 3α,3'α-Bis(4-acetoxyphenylcarboxy)-5β-cholan-24-oic acid ethane-1,2-diol diester . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-6-(3-methyl-but-2-enyl)-chroman-4-one 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one 4H-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)- InChI=1/C25H28O5/c1-14(2)5-7-17-11-16(8-10-20(17)26)19-13-30-22-12-21(27)18(9-6-15(3)4)24(28)23(22)25(19)29/h5-6,8,10-12,19,26-28H,7,9,13H2,1-4H3 CEBSROOTTDEPKN-UHFFFAOYAQ 5,7,4'-Trihydroxy-6,3'-di(γ,γ-dimethylallyl)isoflavanone Bolusanthol C . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(3,4-Dihydroxy-4-hydroxymethyl-tetrahydro-furan-2-yloxymethyl)-6-[3-(4-hydroxy-2,6,6-trimethyl-cyclohex-1-enyl)-1-methyl-propoxy]-tetrahydro-pyran-3,4,5-triol (1R)-3-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-1-methylpropyl rel-6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside beta-D-glucopyranoside, (1R)-3-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1-methylpropyl 6-O-[(2R,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]- InChI=1/C24H42O11/c1-12-7-14(26)8-23(3,4)15(12)6-5-13(2)34-21-19(29)18(28)17(27)16(35-21)9-32-22-20(30)24(31,10-25)11-33-22/h13-14,16-22,25-31H,5-11H2,1-4H3/t13-,14-,16-,17-,18+,19-,20+,21-,22-,24-/m1/s1 KXAHRTBPIZOXEC-RLVPMTPJBZ (3R,9R)-3-Hydroxy-7,8-dihydro-β-ionyl 6-O-β-D-apiofuranosyl-β-D-glucopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-Oxo-3-(1,2,2-trimethyl-cyclopentyl)-hept-2-enal (2E)-6-oxo-3-(1,2,2-trimethylcyclopentyl)hept-2-enal 2-heptenal, 6-oxo-3-[(1R)-1,2,2-trimethylcyclopentyl]-, (2E)- InChI=1/C15H24O2/c1-12(17)6-7-13(8-11-16)15(4)10-5-9-14(15,2)3/h8,11H,5-7,9-10H2,1-4H3/b13-8+/t15-/m0/s1 XIXWLCCEDTUEIX-NRUITVPNBO Secocuparenal . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(5beta,7alpha,8alpha,9xi,10alpha,11beta,13alpha,14R)-7,14,20-trihydroxy-15-oxokauran-11-yl acetate ergosta-7,22-diene-3,5,6,9-tetrol, (3beta,5alpha,6beta,14xi,22E)- InChI=1/C22H34O6/c1-11-13-8-14(28-12(2)24)17-21(10-23)7-5-6-20(3,4)15(21)9-16(25)22(17,18(11)26)19(13)27/h11,13-17,19,23,25,27H,5-10H2,1-4H3/t11?,13-,14-,15+,16+,17?,19+,21-,22+/m0/s1 HADBYKZCOOUPAH-RPTBMTIVBS 16,17-Dihydrorostronol F . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

10,13-Dimethyl-17-(1,4,5-trimethyl-hex-2-enyl)-1,3,4,6,10,11,12,13,14,15,16,17-dodecahydro-2H-cyclopenta[a]phenanthrene-3,5,6,9-tetraol (3beta,5alpha,6beta,14xi,22E)-ergosta-7,22-diene-3,5,6,9-tetrol ergosta-7,22-diene-3,5,6,9-tetrol, (3beta,5alpha,6beta,14xi,22E)- InChI=1/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22?,24+,25+,26+,27+,28-/m0/s1 NYMHFYDQBMRBMB-XWOYPOLRBW 22E,24R-Ergosta-7,22-diene-3β,5α,6β,9α-tetraol 3β,5α,6β,9α-Tetrahydroxyergosta-7,22-diene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(3alpha,19alpha)-3-[4-(2-aminoethyl)phenoxy]-1,2-didehydrocrinan-11-ol 3H,6H-5,11b-ethano[1,3]dioxolo[4,5-j]phenanthridin-12-ol, 3-[4-(2-aminoethyl)phenoxy]-4,4a-dihydro-, (3R,11bS)- InChI=1/C24H26N2O4/c25-8-6-15-1-3-17(4-2-15)30-18-5-7-24-19-11-21-20(28-14-29-21)9-16(19)12-26(13-23(24)27)22(24)10-18/h1-5,7,9,11,18,22-23,27H,6,8,10,12-14,25H2/t18-,22?,23?,24-/m0/s1 WMQYROIEIDIUPE-AKJDLPIOBF 3-[4'-(8'-Aminoethyl)phenoxy]bulbispermine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Methyl-butyric acid 6-hydroxymethyl-3-methylene-2,5-dioxo-2,3,3a,4,5,8,9,11a-octahydro-cyclodeca[b]furan-10-ylmethyl ester [(3aR,6Z,11aS)-6-(hydroxymethyl)-3-methylene-2,5-dioxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-10-yl]methyl rel-3-methylbutanoate butanoic acid, 3-methyl-, [(3aS,6Z,11aR)-2,3,3a,4,5,8,9,11a-octahydro-6-(hydroxymethyl)-3-methylene-2,5-dioxocyclodeca[b]furan-10-yl]methyl ester InChI=1/C20H26O6/c1-12(2)7-19(23)25-11-14-5-4-6-15(10-21)17(22)9-16-13(3)20(24)26-18(16)8-14/h6,8,12,16,18,21H,3-5,7,9-11H2,1-2H3/b14-8-,15-6-/t16-,18+/m0/s1 PYXDBFWTGFQZMF-KFRBSINHBO 14-Hydroxy-15-isovaleryloxy-9-oxo-melampolide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-(3-Hept-1-enyl-5-hydroxy-4-hydroxymethyl-2-oxo-7-oxa-bicyclo[4.1.0]hept-3-en-1-yl)-2-methyl-but-2-enoic acid (2E)-4-[3-[(1E)-hept-1-en-1-yl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid 2-butenoic acid, 4-[3-[(1E)-1-heptenyl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methyl-, (2E)- InChI=1/C19H26O6/c1-3-4-5-6-7-8-13-14(11-20)15(21)17-19(25-17,16(13)22)10-9-12(2)18(23)24/h7-9,15,17,20-21H,3-6,10-11H2,1-2H3,(H,23,24)/b8-7+,12-9+ UDSQZJMGPSRCEM-ANKZSMJWBS Ambuic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Hydroxymethyl-6,8,8-trimethyl-hexahydro-3a,7-methano-azulene-6,7-diol (8alpha)-cedrane-7,8,12-triol 1H-3a,7-methanoazulene-6,7(4H)-diol, hexahydro-3-(hydroxymethyl)-6,8,8-trimethyl-, (3R,3aR,6R,7S,8aR)- InChI=1/C15H26O3/c1-12(2)11-5-4-10(8-16)14(11)7-6-13(3,17)15(12,18)9-14/h10-11,16-18H,4-9H2,1-3H3/t10-,11-,13+,14-,15?/m0/s1 PNZRRWGHPDEJKW-OPYWOCCEBA 7,12-Dihydroxycedrol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(3beta,5xi,9xi,13xi)-28-oxo-20,28-epoxyursan-3-yl 6-deoxy-alpha-D-mannopyranosyl-(1->2)-alpha-D-arabinopyranosyl-(1->2)-rel-beta-L-glucopyranoside ursan-28-one, 3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->2)-O-alpha-L-arabinopyranosyl-(1->2)-beta-D-glucopyranosyl]oxy]-20,28-epoxy-, (3beta,5xi,9xi,13xi)- InChI=1/C47H76O16/c1-21-29-23-9-10-27-43(5)13-12-28(42(3,4)26(43)11-14-45(27,7)44(23,6)15-17-47(29)18-16-46(21,8)63-41(47)56)60-40-37(34(54)32(52)25(19-48)59-40)62-39-36(31(51)24(49)20-57-39)61-38-35(55)33(53)30(50)22(2)58-38/h21-40,48-55H,9-20H2,1-8H3/t SUSQHPKXERIBBD-JUJKXDSCBH 3β-[(O-α-L-Rhamnopyranosyl-(1->2)-O-α-L-arabinopyranosyl-(1->2)-O-β-D-glucopyranosyl)oxy]-ursan-20β,28-olide Zygophyloside N . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(3aR,3bR,7aS,8R,8aR)-3a,7a,8a-trihydroxy-2-isopropyl-3,5,8-trimethyl-1,3a,5,6,7,7a,8,8a-octahydro-4H-3b,8-(epoxyethano)cyclopenta[a]indene-4,10-dione 4H-3b,8-(epoxyethano)cyclopent[a]indene-4,10-dione, 1,3a,5,6,7,7a,8,8a-octahydro-3a,7a,8a-trihydroxy-3,5,8-trimethyl-2-(1-methylethyl)-, (3aR,3bR,7aS,8R,8aR)- InChI=1/C20H28O6/c1-10(2)13-8-18(24)16(5)9-14(21)26-20(19(18,25)12(13)4)15(22)11(3)6-7-17(16,20)23/h10-11,23-25H,6-9H2,1-5H3/t11?,16-,17-,18+,19+,20+/m0/s1 UKRWFVKYGNPCSU-IEVHPPSWBX Anhydrocinnzeylanone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(1R,3aR,3bR,4aR,5S,7aS,9aR)-1-isopropyl-5,7a,9a-trimethyldodecahydro-1H-cyclopenta[a]cyclopropa[i]naphthalen-5-ol 1H-cyclopenta[a]cyclopropa[i]naphthalen-5-ol, dodecahydro-5,7a,9a-trimethyl-1-(1-methylethyl)-, (1R,3aR,3bR,4aR,5S,7aS,9aR)- InChI=1/C20H34O/c1-13(2)14-6-7-15-18(14,4)10-8-17(3)9-11-19(5,21)16-12-20(15,16)17/h13-16,21H,6-12H2,1-5H3/t14-,15-,16+,17+,18-,19+,20-/m1/s1 LIXXTIXZQFXCDM-KSLKBLKXBX 13β-Hydroxyazorellane 9,12-Cyclomulin-13-ol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,9,13,17-Tetramethyl-2-[1-(4,8,12-trimethyl-tridecyl)-vinyl]-octadec-4-en-1-ol (4E)-5,9,13,17-tetramethyl-2-(5,9,13-trimethyl-1-methylenetetradecyl)octadec-4-en-1-ol 4-octadecen-1-ol, 5,9,13,17-tetramethyl-2-(5,9,13-trimethyl-1-methylenetetradecyl)-, (4E)- InChI=1/C40H78O/c1-32(2)17-11-19-34(5)21-13-23-36(7)25-15-26-38(9)29-30-40(31-41)39(10)28-16-27-37(8)24-14-22-35(6)20-12-18-33(3)4/h29,32-37,40-41H,10-28,30-31H2,1-9H3/b38-29+ GAIFBEYPAFEXOA-DMFHDPHMBH 15-Hydroxymethyl-2,6,10,18,22,26,30-heptamethyl-14-methylene-17-hentriacontene Trianthenol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

ethyl 4-[(1-methylheptyl)oxy]-3-nitrobenzoate benzoic acid, 4-[(1-methylheptyl)oxy]-3-nitro-, ethyl ester InChI=1/C17H25NO5/c1-4-6-7-8-9-13(3)23-16-11-10-14(17(19)22-5-2)12-15(16)18(20)21/h10-13H,4-9H2,1-3H3 GRCAFYSRWVYHKL-UHFFFAOYAF 4-(1-Methyl-heptyloxy)-3-nitro-benzoic acid ethyl ester . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-{3-Hydroxy-5-[2-(3-hydroxy-4-methoxy-phenyl)-vinyl]-phenoxy}-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol 3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl beta-glucopyranoside beta-D-glucopyranoside, 3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl InChI=1/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1 GKAJCVFOJGXVIA-DXKBKAGUBB Rhaponticin Rhapontigenin 3-O-β-D-glucopyranoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(1R,21R,24R)-9,12-dimethoxy-24-methyl-5,7,14,16,23-pentaoxahexacyclo[19.2.1.0~2,10~.0~4,8~.0~11,19~.0~13,17~]tetracosa-2(10),3,8,11(19),12,17-hexaene (non-preferred name) 5,7-(epoxymethano)-1,3-benzodioxolo[5',6':3,4]cycloocta[1,2-f][1,3]benzodioxole, 5,6,7,8-tetrahydro-13,14-dimethoxy-6-methyl-, (5R,6R,7R)- InChI=1/C22H22O7/c1-10-12-4-11-5-14-19(28-8-26-14)21(23-2)16(11)17-13(18(10)25-7-12)6-15-20(22(17)24-3)29-9-27-15/h5-6,10,12,18H,4,7-9H2,1-3H3/t10-,12+,18-/m1/s1 ZXZUDTYLUHGDRO-GDAOTKPNBX Pyramidatin H . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-(1,1-Dimethyl-allyl)-4,6-dimethoxy-furo[3,2-g]chromene-5,7-dione 6-(1,1-dimethylprop-2-en-1-yl)-4,6-dimethoxy-5H-furo[3,2-g]chromene-5,7(6H)-dione 5H-furo[3,2-g][1]benzopyran-5,7(6H)-dione, 6-(1,1-dimethyl-2-propenyl)-4,6-dimethoxy- InChI=1/C18H18O6/c1-6-17(2,3)18(22-5)15(19)13-12(24-16(18)20)9-11-10(7-8-23-11)14(13)21-4/h6-9H,1H2,2-5H3 GJIFITGETLKYQN-UHFFFAOYAL 3,5-Dimethoxy-3-(1,1-dimethylprop-2-enyl)-3,4-dihydropsoralen-4-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

11-methoxy-12H-bis[1,3]dioxolo[4,5-a:4',5'-i]xanthen-12-one 12H-1,3-dioxolo[4,5-a][1,3]dioxolo[4,5-i]xanthen-12-one, 11-methoxy- InChI=1/C16H10O7/c1-18-16-12-9(4-10-15(16)22-6-20-10)23-7-2-3-8-14(21-5-19-8)11(7)13(12)17/h2-4H,5-6H2,1H3 PTJSZWUOJVHUMY-UHFFFAOYAU 1-Methoxy-2,3,7,8-dimethylenedioxyxanthone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 2-(8-acetoxymethyl-1,4b,8-trimethyl-dodecahydro-phenanthren-2-ylidene)-ethyl ester (14alpha)-13-[2-(acetyloxy)ethylidene]-14-methylpodocarpan-15-yl acetate 1-phenanthrenemethanol, 7-[2-(acetyloxy)ethylidene]tetradecahydro-1,4a,8-trimethyl-, acetate, (1R,4aR,4bS,7E,8R,8aS,10aR)- InChI=1/C24H38O4/c1-16-19(11-14-27-17(2)25)7-9-21-20(16)8-10-22-23(4,15-28-18(3)26)12-6-13-24(21,22)5/h11,16,20-22H,6-10,12-15H2,1-5H3/b19-11+/t16-,20-,21-,22-,23-,24+/m0/s1 XUDQYHQDISMJIG-QMBHPPKEBF 16,18-Diacetoxycass-13(15)-ene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

Acetic acid 5-(3-hydroxy-3-methyl-pent-4-enyl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethyl ester [(4aR,5S,6R,8aS)-5-(3-hydroxy-3-methylpent-4-en-1-yl)-5,6,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]methyl rel-acetate 1-naphthalenepropanol, 5-[(acetyloxy)methyl]-alpha-ethenyl-1,2,3,4,4a,7,8,8a-octahydro-alpha,1,2,4a-tetramethyl-, (1S,2R,4aS,8aR)- InChI=1/C22H36O3/c1-7-20(4,24)13-14-21(5)16(2)11-12-22(6)18(15-25-17(3)23)9-8-10-19(21)22/h7,9,16,19,24H,1,8,10-15H2,2-6H3/t16-,19-,20?,21+,22-/m1/s1 HMSAXXCDLFKNRA-XVWBHSSWBG 13-Hydroxy-18-acetoxy-cis-cleroda-3,14-diene Rigidusol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17-Hydroxy-17-(1-hydroxy-ethyl)-10,13-dimethyl-tetradecahydro-cyclopenta[a]phenanthrene-3,16-dione (5alpha,8xi,20R)-17,20-dihydroxypregnane-3,16-dione pregnane-3,16-dione, 17,20-dihydroxy-, (5alpha,8xi)- InChI=1/C21H32O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h12-13,15-17,22,25H,4-11H2,1-3H3/t12-,13+,15?,16+,17+,19+,20+,21-/m1/s1 MLBDNAYMBYXPHR-VWHRIGDABT 17α,20R-Dihydroxypregnan-3,16-dione . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(4R,7S,8R,11R,18R)-4,11,18-triisopropyl-7-methyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),12(23),14,19(22)-pentaene-2,9,16-trione 6-oxa-13,20-dithia-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-5(24),12(23),14,19(22),21-pentaene-2,9,16-trione, 7-methyl-4,11,18-tris(1-methylethyl)-, (4S,8S,11S,18S)- InChI=1/C25H34N6O4S2/c1-10(2)16-23-31-19(13(7)35-23)22(34)30-18(12(5)6)25-27-15(9-37-25)21(33)29-17(11(3)4)24-26-14(8-36-24)20(32)28-16/h8-13,16-19H,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t13-,16+,17+,18+,19+/m1/s1 USFFWHGVKNECEY-RUZYHRDJBP Bistratamide E . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-Methyl-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-1,4a,5,6,7,7a-hexahydro-cyclopenta[c]pyran-4-carboxylic acid rel-(1R,4aR,7R,7aS)-1-(beta-L-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-, (1S,4aS,7S,7aR)- InChI=1/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1 DSXFHNSGLYXPNG-YDYVGBNJBM 7-Deoxyloganic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

methyl rel-(7R,8S,9S,10R,11R,13S,14S)-11-hydroxy-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-carboxylate spiro[17H-cyclopenta[a]phenanthrene-17,2'(3'H)-furan]-7-carboxylic acid, 1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-11-hydroxy-10,13-dimethyl-3,5'-dioxo-, methyl ester, (7R,8S,9S,10R,11R,1 InChI=1/C24H32O6/c1-22-7-4-14(25)10-13(22)11-15(21(28)29-3)19-16-5-8-24(9-6-18(27)30-24)23(16,2)12-17(26)20(19)22/h10,15-17,19-20,26H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,20+,22+,23+,24?/m1/s1 TYOYQRZHRWMXIY-DLANGOHTBX 11α,17-Dihydroxy-3-oxo-17α-pregn-4-ene-7α,21-dicarboxylic acid 7-methyl ester γ-lactone 11α-Hydroxymexrenone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(2aR,3R,6R,9S,9bS,12Z)-3,6,9,13-tetramethyl-7-oxodecahydro-2H-2,9-pent[2]enofuro[2,3,4-ef][3]benzoxepin-3-yl rel-acetate 2,9-[2]penteno-2H-furo[2,3,4-ef][3]benzoxepin-7(3H)-one, 3-(acetyloxy)-2a,4,5,5a,6,9,9a,9b-octahydro-3,6,9,13-tetramethyl-, (2aR,3R,6R,9S,9bS,12Z)- InChI=1/C22H32O5/c1-12-7-6-9-22(5)19-17-15(13(2)20(24)27-22)8-10-21(4,26-14(3)23)18(17)16(11-12)25-19/h7,13,15-19H,6,8-11H2,1-5H3/b12-7-/t13-,15?,16?,17+,18+,19?,21-,22+/m1/s1 QQZBIRHKOVCIIO-HVNZQAQBBW Briarellin J . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Hydroxy-4-methyl-2-(1,2,2-trimethyl-cyclopentyl)-cyclohexa-2,5-dienone rel-(4R)-4-hydroxy-4-methyl-2-[(1R)-1,2,2-trimethylcyclopentyl]cyclohexa-2,5-dien-1-one 2,5-cyclohexadien-1-one, 4-hydroxy-4-methyl-2-[(1S)-1,2,2-trimethylcyclopentyl]-, (4S)- InChI=1/C15H22O2/c1-13(2)7-5-8-15(13,4)11-10-14(3,17)9-6-12(11)16/h6,9-10,17H,5,7-8H2,1-4H3/t14-,15+/m0/s1 IAHVMQAYDBMMQB-LSDHHAIUBF (4S*)-2-(1,2,2-Trimethylcyclopentyl)-4-hydroxy-4-methylcyclohexa-2,5-diene Herbertenone A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,10-Dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-eicosahydro-picene-4a-carboxylic acid (3beta,5xi,9xi,13xi,18xi)-3,19-dihydroxyursan-28-oic acid ursan-28-oic acid, 3,19-dihydroxy-, (3beta,5xi,9xi,13xi,18xi)- InChI=1/C30H50O4/c1-18-10-15-30(24(32)33)17-16-27(5)19(23(30)29(18,7)34)8-9-21-26(4)13-12-22(31)25(2,3)20(26)11-14-28(21,27)6/h18-23,31,34H,8-17H2,1-7H3,(H,32,33)/t18-,19?,20?,21?,22+,23?,26+,27-,28-,29-,30+/m1/s1 PEMTYRITAVXZON-BBMOCKMZBZ 12,13-Dihydropomolic acid 3β,19α-Dihydroxy-ursan-28-oic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5-Hydroxy-1-hydroxymethyl-1,4,7-trimethyl-1a,5,6,7,7a,7b-hexahydro-1H,2H-cyclopropa[e]azulen-3-one rel-(1R,1aR,5R,7R,7aS,7bR)-5-hydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-1,1a,2,5,6,7,7a,7b-octahydro-3H-cyclopropa[e]azulen-3-one 3H-cycloprop[e]azulen-3-one, 1,1a,2,5,6,7,7a,7b-octahydro-5-hydroxy-1-(hydroxymethyl)-1,4,7-trimethyl-, (1R,1aR,5R,7R,7aS,7bR)- InChI=1/C15H22O3/c1-7-4-11(18)13-8(2)10(17)5-9-14(12(7)13)15(9,3)6-16/h7,9,11-12,14,16,18H,4-6H2,1-3H3/t7-,9-,11-,12-,14-,15-/m1/s1 YIEFDGFNXNISQJ-FEBFAIQHBT 2β,13-Dihydroxyaromadendr-1(10)-en-9-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4,4,13,14-Tetramethyl-17-(1-methyl-5-oxo-hex-3-enyl)-tetradecahydro-cyclopropa[9,10]cyclopenta[a]phenanthren-3-one rel-(1R,3aS,3bS,5aR,9aR,10aS,12aR)-3a,6,6,12a-tetramethyl-1-[(1R,3E)-1-methyl-5-oxohex-3-en-1-yl]tetradecahydro-7H-cyclopenta[a]cyclopropa[e]phenanthren-7-one (non-preferred name) 2-naphthalenecarboxylic acid, 5-(beta-D-glucopyranosyloxy)-4-methoxy- InChI=1/C29H44O2/c1-19(8-7-9-20(2)30)21-12-14-27(6)23-11-10-22-25(3,4)24(31)13-15-28(22)18-29(23,28)17-16-26(21,27)5/h7,9,19,21-23H,8,10-18H2,1-6H3/b9-7+/t19-,21-,22+,23+,26-,27+,28-,29+/m1/s1 SRSDDLZWQZWBBZ-FFGFJAQXBA (23E)-27-nor-Cycloart-23-en-3,25-dione Vaticinone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(1-Hydroxy-2-phenyl-ethyl)-9H-β-carbolin-6-ol 1-(1-hydroxy-2-phenylethyl)-9H-beta-carbolin-6-ol 9H-pyrido[3,4-b]indole-1-methanol, 6-hydroxy-alpha-(phenylmethyl)-, (alphaS)- InChI=1/C19H16N2O2/c22-13-6-7-16-15(11-13)14-8-9-20-19(18(14)21-16)17(23)10-12-4-2-1-3-5-12/h1-9,11,17,21-23H,10H2/t17-/m0/s1 NSUYQRXJCOMIRZ-KRWDZBQOBG Eudistomin W . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Methoxy-5-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-naphthalene-2-carboxylic acid 5-(beta-glucopyranosyloxy)-4-methoxy-2-naphthoic acid 2-naphthalenecarboxylic acid, 5-(beta-D-glucopyranosyloxy)-4-methoxy- InChI=1/C18H20O9/c1-25-11-6-9(17(23)24)5-8-3-2-4-10(13(8)11)26-18-16(22)15(21)14(20)12(7-19)27-18/h2-6,12,14-16,18-22H,7H2,1H3,(H,23,24)/t12-,14-,15+,16-,18-/m1/s1 PARMBKFFNOOBNH-AEWXESQOBE 5-Hydroxy-4-methoxy-2-naphthalenecarboxylic acid 5-O-β-glucopyranoside Drosophylloside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,11-Dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid (2alpha)-2,19-dihydroxy-3-oxours-12-en-28-oic acid urs-12-en-28-oic acid, 2,19-dihydroxy-3-oxo-, (2alpha)- InChI=1/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,19-22,31,35H,9-16H2,1-7H3,(H,33,34)/t17-,19-,20+,21-,22-,26+,27-,28-,29-,30+/m1/s1 LJORXTIGOHMBOS-OTRVPSFMBC 2α,19α-Dihydroxy-3-oxo-urs-12-en-28-oic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

5,10-dithia-indeno[2,1-a]indene [1]benzothieno[3,2-b][1]benzothiophene [1]benzothieno[3,2-b][1]benzothiophene InChI=1/C14H8S2/c1-3-7-11-9(5-1)13-14(15-11)10-6-2-4-8-12(10)16-13/h1-8H NXCSDJOTXUWERI-UHFFFAOYAE [1]benzothieno[3,2-b][1]benzothiophene . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

thiirane 1,1-dioxide thiirane, 1,1-dioxide InChI=1/C2H4O2S/c3-5(4)1-2-5/h1-2H2 OFBPGACXRPVDQW-UHFFFAOYAJ . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

{(2,5-dimethoxy-1,4-phenylene)bis[(E)ethene-2,1-diyl-4,1-phenylene]}dimethanol benzenemethanol, 4,4'-[(2,5-dimethoxy-1,4-phenylene)di(E)-2,1-ethenediyl]bis- InChI=1/C26H26O4/c1-29-25-15-24(14-12-20-5-9-22(18-28)10-6-20)26(30-2)16-23(25)13-11-19-3-7-21(17-27)8-4-19/h3-16,27-28H,17-18H2,1-2H3/b13-11+,14-12+ UQRLMLGSKSSOGN-PHEQNACWBX [4-2(2-{4-[2-(4-Hydroxymethyl-phenyl)-vinyl]-2,5-dimethoxy-phenyl}-vinyl)-phenyl]-methanol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

methyl 4-iodobenzoate benzoic acid, 4-iodo-, methyl ester InChI=1/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 DYUWQWMXZHDZOR-UHFFFAOYAE 4-Iodo-benzoic acid methyl ester . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

chloro(methylthio)methane methane, chloro(methylthio)- InChI=1/C2H5ClS/c1-4-2-3/h2H2,1H3 JWMLCCRPDOIBAV-UHFFFAOYAW chloro-methylsulfanyl-methane chloromethyl methyl sulfide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,1'-thiodiethane ethane, 1,1'-thiobis- InChI=1/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3 LJSQFQKUNVCTIA-UHFFFAOYAZ ethyl sulfide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,2'-dithiodipropane disulfide, bis(1-methylethyl) InChI=1/C6H14S2/c1-5(2)7-8-6(3)4/h5-6H,1-4H3 LZAZXBXPKRULLB-UHFFFAOYAY isopropyl sulfide . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

thiirane thiirane InChI=1/C2H4S/c1-2-3-1/h1-2H2 VOVUARRWDCVURC-UHFFFAOYAI ethylene sulfide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

tetrahydrothiophene thiophene, tetrahydro- InChI=1/C4H8S/c1-2-4-5-3-1/h1-4H2 RAOIDOHSFRTOEL-UHFFFAOYAY tetrahydrothiophene . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,4-dithiane 1,4-dithiane InChI=1/C4H8S2/c1-2-6-4-3-5-1/h1-4H2 LOZWAPSEEHRYPG-UHFFFAOYAR p-dithiane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

6-Benzoyl-5-hydroxy-2,2-dimethyl-10-propyl-2H-pyrano[2,3-f]chromen-8-one 6-benzoyl-5-hydroxy-2,2-dimethyl-10-propyl-2H,8H-pyrano[2,3-f]chromen-8-one 2(1H)-pyridinone, 4-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-1-oxo-2,4,6-dodecatrienyl]- InChI=1/C24H22O5/c1-4-8-15-13-17(25)28-23-18(15)22-16(11-12-24(2,3)29-22)21(27)19(23)20(26)14-9-6-5-7-10-14/h5-7,9-13,27H,4,8H2,1-3H3 QWYOEBGEICIGCR-UHFFFAOYAJ Brasimarin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-Hydroxy-5-(4-hydroxy-phenyl)-3-(6,8,10-trimethyl-dodeca-2,4,6-trienoyl)-1H-pyridin-2-one rel-4-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyldodeca-2,4,6-trienoyl]pyridin-2(1H)-one 2(1H)-pyridinone, 4-hydroxy-5-(4-hydroxyphenyl)-3-[(2E,4E,6E,8R,10R)-6,8,10-trimethyl-1-oxo-2,4,6-dodecatrienyl]- InChI=1/C26H31NO4/c1-5-17(2)14-19(4)15-18(3)8-6-7-9-23(29)24-25(30)22(16-27-26(24)31)20-10-12-21(28)13-11-20/h6-13,15-17,19,28H,5,14H2,1-4H3,(H2,27,30,31)/b8-6+,9-7+,18-15+/t17-,19-/m1/s1 GBZJQQUISHXMFL-YNFQZBBQBO 4-Hydroxy-5-(4-hydroxyphenyl)-3-(6,8,10-trimethyldodeca-2,4,6-trienoyl)-1H-pyridin-2-one Militarinone D . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Isopropyl-10,12a-dimethyl- 1,3a,4,5,8,9,12,12a-octahydro-cyclopentaundecene-6-carboxylic acid rel-(3aR,6Z,10E,12aS)-3-isopropyl-10,12a-dimethyl-1,3a,4,5,8,9,12,12a-octahydrocyclopenta[11]annulene-6-carboxylic acid 6-cyclopentacycloundecenecarboxylic acid, 1,3a,4,5,8,9,12,12a-octahydro-10,12a-dimethyl-3-(1-methylethyl)-, (3aS,6Z,10E,12aR)- InChI=1/C20H30O2/c1-14(2)17-11-13-20(4)12-10-15(3)6-5-7-16(19(21)22)8-9-18(17)20/h7,10-11,14,18H,5-6,8-9,12-13H2,1-4H3,(H,21,22)/b15-10+,16-7-/t18-,20-/m1/s1 YQRHFPSCUBKRIZ-RJHYLEMXBM (3E,7Z)-Dollabella-3,7,12-trien-17-oic acid Dolabeserpenoic acid A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-(2-Hydroxymethyl-4,5-dimethoxy-naphtalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol rel-(1R,3R)-7-[2-(hydroxymethyl)-4,5-dimethoxy-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol 8-isoquinolinol, 1,2,3,4-tetrahydro-7-[2-(hydroxymethyl)-4,5-dimethoxy-1-naphthalenyl]-1,3-dimethyl-, (1R,3R)- InChI=1/C24H27NO4/c1-13-10-15-8-9-18(24(27)21(15)14(2)25-13)22-16(12-26)11-20(29-4)23-17(22)6-5-7-19(23)28-3/h5-9,11,13-14,25-27H,10,12H2,1-4H3/t13-,14-/m1/s1 UORJGZQGXAWGDM-ZIAGYGMSBK Habropetaline A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Hydroxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydro-picene-4-carboxylic acid (3alpha,5xi,9xi)-3-hydroxyolean-12-en-24-oic acid olean-12-en-24-oic acid, 3-hydroxy-, (3alpha,5xi,9xi)- InChI=1/C30H48O3/c1-25(2)14-15-26(3)16-17-28(5)19(20(26)18-25)8-9-21-27(4)12-11-23(31)30(7,24(32)33)22(27)10-13-29(21,28)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21?,22?,23+,26+,27+,28+,29+,30+/m0/s1 BZXULBWGROURAF-UNEPAFJVBF α-Boswellic acid 3α-Hydroxy-olean-12-en-24-oic-acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1,1,4a,7,Tetramethyl-7-vinyl-dodecahydro-phenanthrene-2,8a-diol (3alpha,5xi,8alpha,9xi,10alpha,13alpha)-pimar-15-ene-3,8-diol 2,8a(2H)-phenanthrenediol, 7-ethenyldodecahydro-1,1,4a,7-tetramethyl-, (2R,4aR,7S,8aS)- InChI=1/C20H34O2/c1-6-18(4)10-7-15-19(5)11-9-16(21)17(2,3)14(19)8-12-20(15,22)13-18/h6,14-16,21-22H,1,7-13H2,2-5H3/t14?,15?,16-,18+,19-,20+/m1/s1 UIVFXGICZLHPQO-RQPVFEQBBO ent-Pimar-15-ene-3α,8α-diol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

7-Methoxy-tetradec-4-enoic acid [3-chloro-2-(4-methoxy-6-oxo-6H-pyran-2-ylmethyl)-allyl]-amide (4E)-N-{(2E)-3-chloro-2-[(4-methoxy-2-oxo-2H-pyran-6-yl)methyl]prop-2-en-1-yl}-7-methoxytetradec-4-enamide 4-tetradecenamide, N-[(2E)-3-chloro-2-[(4-methoxy-2-oxo-2H-pyran-6-yl)methyl]-2-propenyl]-7-methoxy-, (4E,7S)- InChI=1/C25H38ClNO5/c1-4-5-6-7-9-12-21(30-2)13-10-8-11-14-24(28)27-19-20(18-26)15-23-16-22(31-3)17-25(29)32-23/h8,10,16-18,21H,4-7,9,11-15,19H2,1-3H3,(H,27,28)/b10-8+,20-18+/t21-/m0/s1 ABBPFXQJIWUCKF-CXRCMLCDBV Malyngamide T . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(3-Hydroxy-but-1-enyl)-2,6,6-trimethyl-cyclohexane-1,2,4-triol rel-(1R,2R,4S)-1-[(1E,3S)-3-hydroxybut-1-en-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol 1,2,4-cyclohexanetriol, 1-[(1E,3S)-3-hydroxy-1-butenyl]-2,6,6-trimethyl-, (1R,2R,4S)- InChI=1/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10-,12+,13+/m0/s1 CTCKPFXFWVNGLG-DWFSUXBBBZ 1-(3-Hydroxy-but-1-enyl)-2,6,6-trimethyl-cyclohexane-1,2,4-triol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(3,4-Dihydroxy-phenyl)-6,7-dihydroxy-1,2-dihydro-napthalene-2,3-dicarboxylic acid 3-(2-carboxymethyl-4,5-dihydroxy-tetrahydro-pyran-3-yl) ester rel-3,7-anhydro-4-O-{[(3R,4S)-3-carboxy-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydronaphthalen-2-yl]carbonyl}-2-deoxy-D-manno-heptonic acid L-manno-heptonic acid, 3,7-anhydro-4-O-[[(3S,4R)-3-carboxy-4-(3,4-dihydroxyphenyl)-3,4-dihydro-6,7-dihydroxy-2-naphthalenyl]carbonyl]-2-deoxy- InChI=1/C25H24O13/c26-13-2-1-9(4-14(13)27)20-11-6-16(29)15(28)5-10(11)3-12(21(20)24(34)35)25(36)38-23-18(7-19(31)32)37-8-17(30)22(23)33/h1-6,17-18,20-23,26-30,33H,7-8H2,(H,31,32)(H,34,35)/t17-,18-,20+,21+,22-,23-/m0/s1 BQZDJLGHFNHARS-FMIOCKMGBZ Trilobatin D . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-1,2,3,4-tetrahydro-napthalene-1-yl)-2-methoxy-phenol rel-4-[(1R,2S,3S)-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenol 2,3-naphthalenedimethanol, 1,2,3,4-tetrahydro-1-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-, (1R,2S,3S)- InChI=1/C21H26O6/c1-25-18-7-12(4-5-17(18)24)21-15-9-20(27-3)19(26-2)8-13(15)6-14(10-22)16(21)11-23/h4-5,7-9,14,16,21-24H,6,10-11H2,1-3H3/t14-,16-,21-/m1/s1 PDWZFAROGANMAJ-IUSZMWJPBE 9,4'9'-Trihydroxy 4,5,3'-timethoxy aryltetralin lignan Scaphopetalone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,4,8-Trihydroxy-5-methoxy-7-(3-methyl-but-2-enyl)-xanthen-9-one 1,5,7-trihydroxy-4-methoxy-2-(3-methylbut-2-en-1-yl)-9H-xanthen-9-one 9H-xanthen-9-one, 1,5,7-trihydroxy-4-methoxy-2-(3-methyl-2-butenyl)- InChI=1/C19H18O6/c1-9(2)4-5-10-6-14(24-3)19-15(16(10)22)17(23)12-7-11(20)8-13(21)18(12)25-19/h4,6-8,20-22H,5H2,1-3H3 AEUJUHBXLYQCMN-UHFFFAOYAH Umbilicaxanthone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

acetaldehyde acetaldehyde InChI=1/C2H4O/c1-2-3/h2H,1H3 IKHGUXGNUITLKF-UHFFFAOYAB acetaldehyde ethaldehyde ethanal . Information we have got: NMR spectra 13C, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-methylpropanal propanal, 2-methyl- InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H3 AMIMRNSIRUDHCM-UHFFFAOYAE 2-METHYL-PROPANAL 2-methylpropionaldehyde ISO-BUTYRALDEHYDE . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

propionaldehyde propanal InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3 NBBJYMSMWIIQGU-UHFFFAOYAZ propionaldehyde . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-methylacrylaldehyde 2-propenal, 2-methyl- InChI=1/C4H6O/c1-4(2)3-5/h3H,1H2,2H3 STNJBCKSHOAVAJ-UHFFFAOYAU methacrolein methacrylaldehyde . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

trichloroacetaldehyde acetaldehyde, trichloro- InChI=1/C2HCl3O/c3-2(4,5)1-6/h1H HFFLGKNGCAIQMO-UHFFFAOYAC chloral trichloroacetaldehyde . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

tribromoacetaldehyde acetaldehyde, tribromo- InChI=1/C2HBr3O/c3-2(4,5)1-6/h1H YTGSYRVSBPFKMQ-UHFFFAOYAH bromal tribromoacetaldehyde . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

acetone 2-propanone InChI=1/C3H6O/c1-3(2)4/h1-2H3 CSCPPACGZOOCGX-UHFFFAOYAF acetone propanone . Information we have got: NMR spectra 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 17O, 3D coordinates, File formats: CML, mol, png, jpeg

3,3-dimethylbutan-2-one 2-butanone, 3,3-dimethyl- InChI=1/C6H12O/c1-5(7)6(2,3)4/h1-4H3 PJGSXYOJTGTZAV-UHFFFAOYAH 3,3-dimethyl-2-butanone pinacolone t-butyl methyl ketone . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

butan-2-one 2-butanone InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3 ZWEHNKRNPOVVGH-UHFFFAOYAW 2-BUTANONE methyl ethyl ketone . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

pentan-3-one 3-pentanone InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 FDPIMTJIUBPUKL-UHFFFAOYAJ . Information we have got: NMR spectra 13C, 13C, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-bromo-4-hydroxyanthra-9,10-quinone 9,10-anthracenedione, 1-bromo-4-hydroxy- InChI=1/C14H7BrO3/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,16H PESCKGLGPVJVRJ-UHFFFAOYAR . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-nitrobenzoic acid benzoic acid, 3-nitro- InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) AFPHTEQTJZKQAQ-UHFFFAOYAS BENZOIC ACID,3-NITRO MFC7 H5 N1 O4 . Information we have got: NMR spectra 13C, 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3,5-dinitrobenzoic acid benzoic acid, 3,5-dinitro- InChI=1/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11) VYWYYJYRVSBHJQ-UHFFFAOYAQ BENZOIC ACID,3,5-DINITRO MFC7 H4 N2 O6 . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(4aR,5S,6S,8R,8aS)-2-(4-chlorophenyl)-6-phenyl-4a,5,6,7,8,8a-hexahydro-4H-5,8-methano-3,1-benzoxazine 5,8-methano-4H-3,1-benzoxazine, 2-(4-chlorophenyl)-4a,5,6,7,8,8a-hexahydro-6-phenyl-, (4aS,5R,6R,8S,8aR)- InChI=1/C21H20ClNO/c22-16-8-6-14(7-9-16)21-23-20-15-10-17(13-4-2-1-3-5-13)18(11-15)19(20)12-24-21/h1-9,15,17-20H,10-12H2/t15-,17+,18-,19+,20-/m1/s1 BKGKLXONYUPRMI-MTEHYEEQBI . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N,N'-bis(2,2-dimethylpropyl)-1,3-diphenylpropane-1,3-diamine 1,3-propanediamine, N,N'-bis(2,2-dimethylpropyl)-1,3-diphenyl- InChI=1/C25H38N2/c1-24(2,3)18-26-22(20-13-9-7-10-14-20)17-23(27-19-25(4,5)6)21-15-11-8-12-16-21/h7-16,22-23,26-27H,17-19H2,1-6H3 BWDZTTJTIUZFIS-UHFFFAOYAA . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2,4-dimethylpentan-3-one 3-pentanone, 2,4-dimethyl- InChI=1/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3 HXVNBWAKAOHACI-UHFFFAOYAT 2,4-dimethyl-3-pentanone 3-PENTANONE,2,4-DIMETHYL DIISOPROPYLKETONE . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-methyl-4-nitrobenzene benzene, 1-methyl-4-nitro- InChI=1/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 ZPTVNYMJQHSSEA-UHFFFAOYAU TOLUENE,4-NITRO MFC7 H7 N1 O2 . Information we have got: NMR spectra 13C, 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethylbenzene benzene, ethyl- InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 YNQLUTRBYVCPMQ-UHFFFAOYAM ETHYL-BENZENE . Information we have got: NMR spectra 13C, 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

diallyl(methyl)silane silane, methyldi-2-propenyl- InChI=1/C7H14Si/c1-4-6-8(3)7-5-2/h4-5,8H,1-2,6-7H2,3H3 LYSYPQKEMROUMS-UHFFFAOYAS Diallyl-methyl-silane . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

piperazine piperazine InChI=1/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2 GLUUGHFHXGJENI-UHFFFAOYAS PIPERAZINE (HEXAHYDRATE) . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydro-quinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxy-phenyl)-3-methyl-pyridine-2-carboxylic acid 5-amino-6-(7-amino-6-methoxy-5,8-dioxo-5,8-dihydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridinium-2-carboxylate 2-pyridinecarboxylic acid, 5-amino-6-(7-amino-5,8-dihydro-6-methoxy-5,8-dioxo-2-quinolinyl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methyl- InChI=1/C25H22N4O8/c1-9-14(10-6-8-13(35-2)23(36-3)20(10)30)15(26)19(29-17(9)25(33)34)12-7-5-11-18(28-12)22(32)16(27)24(37-4)21(11)31/h5-8,30H,26-27H2,1-4H3,(H,33,34) PVYJZLYGTZKPJE-UHFFFAOYAW Rufocromomycin Streptonigrin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

rel-1,1'-(1R,2S)-cyclobutane-1,2-diylbis(2,4,5-trimethoxybenzene) benzene, 1,1'-[(1R,2S)-1,2-cyclobutanediyl]bis[2,4,5-trimethoxy- InChI=1/C22H28O6/c1-23-17-11-21(27-5)19(25-3)9-15(17)13-7-8-14(13)16-10-20(26-4)22(28-6)12-18(16)24-2/h9-14H,7-8H2,1-6H3/t13-,14+ JSEZFCVVWRJUJW-OKILXGFUBL Pellucidin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

pyrazine pyrazine InChI=1/C4H4N2/c1-2-6-4-3-5-1/h1-4H KYQCOXFCLRTKLS-UHFFFAOYAV . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-(4-iodophenyl)ethane-1,1,2-tricarbonitrile 1,1,2-ethanetricarbonitrile, 2-(4-iodophenyl)- InChI=1/C11H6IN3/c12-10-3-1-8(2-4-10)11(7-15)9(5-13)6-14/h1-4,9,11H TVJRHGHYWNEXFR-UHFFFAOYAD 2-Cyano-3-(4-iodo-phenyl)-succinonitrile . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-((E)-2-{4-[bis(2-hexyloctyl)amino]phenyl}vinyl)benzonitrile benzonitrile, 4-[(E)-2-[4-[bis(2-hexyloctyl)amino]phenyl]ethenyl]- InChI=1/C43H68N2/c1-5-9-13-17-21-41(22-18-14-10-6-2)36-45(37-42(23-19-15-11-7-3)24-20-16-12-8-4)43-33-31-39(32-34-43)26-25-38-27-29-40(35-44)30-28-38/h25-34,41-42H,5-24,36-37H2,1-4H3/b26-25+ KDTOISWHITZHCF-OCEACIFDBZ 4-(2-{4-[Bis-(2-hexyl-octyl)-amino]-phenyl}-vinyl)-benzonitrile . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-methoxyacetone 2-propanone, 1-methoxy- InChI=1/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3 CUZLJOLBIRPEFB-UHFFFAOYAU methoxy-2-propanone methoxyaceton . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

5-{2-[4-Hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-ethyl}-2-(3-methyl-but-2-enyl)-benzene-1,3-diol 5-{2-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethyl}-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol 1,3-benzenediol, 5-[2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]ethyl]-2-(3-methyl-2-butenyl)- InChI=1/C24H30O3/c1-16(2)5-10-20-13-18(9-12-22(20)25)7-8-19-14-23(26)21(24(27)15-19)11-6-17(3)4/h5-6,9,12-15,25-27H,7-8,10-11H2,1-4H3 UMBTUNCDJTWDLW-UHFFFAOYAV α,α'-Dihydro-3,5,4'-trihydroxy-4,5'-diisopentenylstilbene . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-(dimethylamino)acetone 2-propanone, 1-(dimethylamino)- InChI=1/C5H11NO/c1-5(7)4-6(2)3/h4H2,1-3H3 VFPKIWATTACVJR-UHFFFAOYAF (dimethylamino)-acetone 1-(dimethylamino)-2-propanone . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

biacetyl 2,3-butanedione InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H3 QSJXEFYPDANLFS-UHFFFAOYAX 2,3-butadione 2,3-Butanedione diacetyl . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

6-(1-Hydroxy-2-methoxy-2-phenyl-ethyl)-5,6-dihydro-pyran-2-one rel-(6R)-6-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-5,6-dihydro-2H-pyran-2-one 2H-pyran-2-one, 5,6-dihydro-6-[(1S,2R)-1-hydroxy-2-methoxy-2-phenylethyl]-, (6R)- InChI=1/C14H16O4/c1-17-14(10-6-3-2-4-7-10)13(16)11-8-5-9-12(15)18-11/h2-7,9,11,13-14,16H,8H2,1H3/t11-,13+,14-/m1/s1 OGXADNXQFFRXMG-KWCYVHTRBI (6R,7R,8R)-8-Methoxygoniodiol 8-Methoxygoniodiol . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

hexane-2,5-dione 2,5-hexanedione InChI=1/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 OJVAMHKKJGICOG-UHFFFAOYAH 2,5-HEXANEDIONE ACETONYLACETONE . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-indole 1H-indole, 3-(1-methyl-4-nitro-1H-imidazol-5-yl)- InChI=1/C12H10N4O2/c1-15-7-14-12(16(17)18)11(15)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3 RVWIHCPIUJADNV-UHFFFAOYAX 3-(3-Methyl-5-nitro-3H-imidazol-4-yl)1H-indole . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,6-dimethyl-4H-pyran-4-one 4H-pyran-4-one, 2,6-dimethyl- InChI=1/C7H8O2/c1-5-3-7(8)4-6(2)9-5/h3-4H,1-2H3 VSYFZULSKMFUJJ-UHFFFAOYAS 2,6-dimethyl-4H-pyran-4o-one . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

acetic acid acetic acid InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4) QTBSBXVTEAMEQO-UHFFFAOYAR ACETIC ACID . Information we have got: NMR spectra 13C, 13C, 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

formic acid formic acid InChI=1/CH2O2/c2-1-3/h1H,(H,2,3) BDAGIHXWWSANSR-UHFFFAOYAT formic acid methaldehyde . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

pivalic acid propanoic acid, 2,2-dimethyl- InChI=1/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7) IUGYQRQAERSCNH-UHFFFAOYAP pivalic acid trimethylacetic acid . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3,3-dimethylbutanoic acid butanoic acid, 3,3-dimethyl- InChI=1/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8) MLMQPDHYNJCQAO-UHFFFAOYAR 3,3-dimethylbutyric acid t-butylacetic acid . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

malonic acid propanedioic acid InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) OFOBLEOULBTSOW-UHFFFAOYAJ PROPANEDIOIC ACID MALONIC ACID . Information we have got: NMR spectra 13C, 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

methylmalonic acid propanedioic acid, methyl- InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8) ZIYVHBGGAOATLY-UHFFFAOYAT methylmalonic acid MMA . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

dimethylmalonic acid propanedioic acid, dimethyl- InChI=1/C5H8O4/c1-5(2,3(6)7)4(8)9/h1-2H3,(H,6,7)(H,8,9) OREAFAJWWJHCOT-UHFFFAOYAJ dimethylmalonic acid . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethylmalonic acid propanedioic acid, ethyl- InChI=1/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9) UKFXDFUAPNAMPJ-UHFFFAOYAZ ethylmalonic acid . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(5beta,8alpha,9beta,10alpha,15alpha,16beta)-15,16-epoxykauran-18-oic acid 4H-1-benzopyran-4-one, 2-[3,4-dihydroxy-5-[(2E)-7-hydroxy-3,7-dimethyl-2-octenyl]phenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)- InChI=1/C20H30O3/c1-17-8-4-9-18(2,16(21)22)13(17)7-10-20-11-12(5-6-14(17)20)19(3)15(20)23-19/h12-15H,4-11H2,1-3H3,(H,21,22)/t12?,13-,14-,15-,17+,18+,19-,20+/m0/s1 REINKLWVLCQOIC-NOPGUSNKBU ent-15β,16β-Epoxykauran-19-oic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-Methyl-1H-pyrrole-2-carboxylic acid 8-methyl-6-(1H-pyrrole-2-carbonyloxy)-8-aza-bicyclo[3.2.1]oct-3-yl ester (3R,6R)-8-methyl-6-[(1H-pyrrol-2-ylcarbonyl)oxy]-8-azabicyclo[3.2.1]oct-3-yl rel-1-methyl-1H-pyrrole-2-carboxylate 1H-pyrrole-2-carboxylic acid, 1-methyl-, (3R,6R)-8-methyl-6-[(1H-pyrrol-2-ylcarbonyl)oxy]-8-azabicyclo[3.2.1]oct-3-yl ester InChI=1/C19H23N3O4/c1-21-8-4-6-15(21)19(24)25-13-9-12-10-17(16(11-13)22(12)2)26-18(23)14-5-3-7-20-14/h3-8,12-13,16-17,20H,9-11H2,1-2H3/t12?,13-,16?,17-/m1/s1 TXRBCLMMEQCXMM-FZLDSSPABX 3α-(1-Methyl-1H-pyrrol-2-ylcarbonyloxy)-6β-(1H-pyrrol-2-ylcarbonyloxy)tropane Catuabine D . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

2-[3,4-Dihydroxy-5-(6-hydroxy-3,6-dimethyl-hept-2-enyl)-phenyl]-5,7-dihydroxy-chroman-4-one 2-{3,4-dihydroxy-5-[(2E)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]phenyl}-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one 4H-1-benzopyran-4-one, 2-[3,4-dihydroxy-5-[(2E)-7-hydroxy-3,7-dimethyl-2-octenyl]phenyl]-2,3-dihydro-5,7-dihydroxy-, (2S)- InChI=1/C25H30O7/c1-14(5-4-8-25(2,3)31)6-7-15-9-16(10-20(29)24(15)30)21-13-19(28)23-18(27)11-17(26)12-22(23)32-21/h6,9-12,21,26-27,29-31H,4-5,7-8,13H2,1-3H3/b14-6+/t21-/m0/s1 WCDJIWAYGSJPBT-LDEBPVJWBG Propolin B . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-Hydroxy-10-propyl-3,4,5,8,9,10-hexahydro-oxecin-2-one rel-(6E,8R,10R)-8-hydroxy-10-propyl-3,4,5,8,9,10-hexahydro-2H-oxecin-2-one 2H-oxecin-2-one, 3,4,5,8,9,10-hexahydro-8-hydroxy-10-propyl-, (6E,8R,10R)- InChI=1/C12H20O3/c1-2-6-11-9-10(13)7-4-3-5-8-12(14)15-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3/b7-4+/t10-,11+/m0/s1 PXEZKOPQLQDFEU-NAJRYUOPBP (7R,9R)-7-hydroxy-9-propyl-5-nonen-9-olide Herbarumin III . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

1-Hydroxy-5-isopropyl-8,12-dimethyl-11-[3-(1-methyl-1H-imidazol-4-yl)-acryloyloxy]-15-oxa-tricyclo[10.2.1.0^4,9]pentadeca-2,7,13-triene-2-carboxylic acid methyl ester methyl rel-(4R,4aS,5E,7R,10S,11S,12aR)-7-hydroxy-4-isopropyl-1,10-dimethyl-11-{[(2Z)-3-(1-methyl-1H-imidazol-4-yl)prop-2-enoyl]oxy}-3,4,4a,7,10,11,12,12a-octahydro-7,10-epoxybenzo[10]annulene-6-carbox 7,10-epoxybenzocyclodecene-6-carboxylic acid, 3,4,4a,7,10,11,12,12a-octahydro-7-hydroxy-1,10-dimethyl-4-(1-methylethyl)-11-[[(2Z)-3-(1-methyl-1H-imidazol-4-yl)-1-oxo-2-propenyl]oxy]-, methyl ester, (4 InChI=1/C28H36N2O6/c1-17(2)20-9-7-18(3)21-14-24(35-25(31)10-8-19-15-30(5)16-29-19)27(4)11-12-28(33,36-27)23(13-22(20)21)26(32)34-6/h7-8,10-13,15-17,20-22,24,33H,9,14H2,1-6H3/b10-8-,23-13-/t20-,21+,22-,24+,27+,28-/m1/s1 VHZOZCRALQEBDG-IBVHABIXBH (Z)-Sarcodictyin A . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

methyl (4xi,5xi,20R)-20-hydroxy-12-methoxy-19-oxoibogamine-18-carboxylate ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-19-oxo-, methyl ester, (4xi,5xi,20R)- InChI=1/C22H26N2O5/c1-11(25)15-8-12-10-22(21(27)29-3)18-14(6-7-24(19(15)22)20(12)26)16-9-13(28-2)4-5-17(16)23-18/h4-5,9,11-12,15,19,23,25H,6-8,10H2,1-3H3/t11-,12?,15?,19?,22-/m1/s1 OZUSKNIPJRUWKJ-HJQFLONCBN 19-epi-3-Oxovoacristine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

9,10-Dimethoxy-[1,3]dioxolo[4,5-g]furo[2,3-b]quinoline 9,10-dimethoxy[1,3]dioxolo[4,5-g]furo[2,3-b]quinoline 1,3-dioxolo[4,5-g]furo[2,3-b]quinoline, 9,10-dimethoxy- InChI=1/C14H11NO5/c1-16-11-7-3-4-18-14(7)15-8-5-9-12(20-6-19-9)13(17-2)10(8)11/h3-5H,6H2,1-2H3 GJMFVFKPADGXCP-UHFFFAOYAD 5-Methoxymaculine . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

dimethyl sulfoxide methane, sulfinylbis- InChI=1/C2H6OS/c1-4(2)3/h1-2H3 IAZDPXIOMUYVGZ-UHFFFAOYAR dimethyl sulfoxide DMSO methyl sulfoxide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(methylsulfinyl)(methylthio)methane methane, (methylsulfinyl)(methylthio)- InChI=1/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3 OTKFCIVOVKCFHR-UHFFFAOYAE methyl methylsulfinylmethyl sulfide MMTS . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

dimethyl sulfone methane, sulfonylbis- InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H3 HHVIBTZHLRERCL-UHFFFAOYAG dimethyl sulfone methyl sulfone . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

(methylsulfonyl)acetonitrile acetonitrile, (methylsulfonyl)- InChI=1/C3H5NO2S/c1-7(5,6)3-2-4/h3H2,1H3 FOTRKCAZUSJCQD-UHFFFAOYAH (methylsulfonyl)acetonitrile . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,5-dihydrothiophene 1,1-dioxide thiophene, 2,5-dihydro-, 1,1-dioxide InChI=1/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2 MBDNRNMVTZADMQ-UHFFFAOYAO 2,5-dihydrothiophene-1,1-dioxide 3-sulfolene butadiene sulfone . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

dimethyl sulfite sulfurous acid, dimethyl ester InChI=1/C2H6O3S/c1-4-6(3)5-2/h1-2H3 BDUPRNVPXOHWIL-UHFFFAOYAF dimethyl sulfite methoxysulfinyloxymethane methyl sulfite . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

diethyl sulfite sulfurous acid, diethyl ester InChI=1/C4H10O3S/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3 NVJBFARDFTXOTO-UHFFFAOYAE diethyl sulfite ethyl sulfite . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

methanesulfonic acid methanesulfonic acid InChI=1/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) AFVFQIVMOAPDHO-UHFFFAOYAS methanesulfonic acid . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

methyl fluoridosulfate fluoridosulfuric acid (HSO_3_), methyl ester InChI=1/CH3FO3S/c1-5-6(2,3)4/h1H3 MBXNQZHITVCSLJ-UHFFFAOYAW magic methyl methyl fluorosulfonate . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

methyl trifluoromethanesulfonate methanesulfonic acid, trifluoro-, methyl ester InChI=1/C2H3F3O3S/c1-8-9(6,7)2(3,4)5/h1H3 OIRDBPQYVWXNSJ-UHFFFAOYAL methyl trifluoromethanesulfonate . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethyl fluoridosulfate fluoridosulfuric acid (HSO_3_), ethyl ester InChI=1/C2H5FO3S/c1-2-6-7(3,4)5/h2H2,1H3 KRRYGFCJUCTWMH-UHFFFAOYAJ ethyl fluorosulfonate . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

N,N,N',N',N'',N''-hexamethylphosphoric triamide phosphoric triamide, N,N,N',N',N'',N''-hexamethyl- InChI=1/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3 GNOIPBMMFNIUFM-UHFFFAOYAP hexamethylphophoric triamide hexamethylphosphoramide . Information we have got: NMR spectra 13C, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

N,N,N',N',N'',N''-hexamethylphosphorous triamide phosphorous triamide, N,N,N',N',N'',N''-hexamethyl- InChI=1/C6H18N3P/c1-7(2)10(8(3)4)9(5)6/h1-6H3 XVDBWWRIXBMVJV-UHFFFAOYAX hexamethylphosphorous triamide . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

tetramethylstannane stannane, tetramethyl- InChI=1/4CH3.Sn/h4*1H3; VXKWYPOMXBVZSJ-UHFFFAOYAL tetramethyltin . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

chloro(trimethyl)stannane stannane, chlorotrimethyl- InChI=1/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1 KWTSZCJMWHGPOS-REWHXWOFAK trimethyltin chloride . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

methyl(triphenyl)arsonium iodide arsonium, methyltriphenyl-, iodide InChI=1/C19H18As.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1 GHLKOMSNOFJXDT-REWHXWOFAR (methyl)-triphenylarsonium iodide . Information we have got: NMR spectra 1H, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

triphenylarsine arsine, triphenyl- InChI=1/C18H15As/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H BPLUKJNHPBNVQL-UHFFFAOYAO triphenylarsine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

ethane-1,2-diylbis(diphenylarsine) arsine, 1,2-ethanediylbis[diphenyl- InChI=1/C26H24As2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2 PZEXNMSXAVGEAP-UHFFFAOYAW ethylenebis-(diphenylarsine) . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

3-Oxo-undecanoic acid 3-oxoundecanoic acid undecanoic acid, 3-oxo- InChI=1/C11H20O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2-9H2,1H3,(H,13,14) RYAXOIRSQGWHQD-UHFFFAOYAS 3-Oxo-undecanoic acid . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

N-(tert-butyl)-N'-tritylcarbodiimide benzenemethanamine, N-[(1,1-dimethylethyl)carbonimidoyl]-alpha,alpha-diphenyl- InChI=1/C24H24N2/c1-23(2,3)25-19-26-24(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,1-3H3 QHYTZNYMXYFNIH-UHFFFAOYAV N-tert-butyl-N'-(triphenylmethyl)-carbodiimide . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

N,N'-bis(4-methylphenyl)carbodiimide thiocyanic acid, phenylmethyl ester InChI=1/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3 BOSWPVRACYJBSJ-UHFFFAOYAA N,N'-di-p-tolylcarbodiimide . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

benzyl thiocyanate thiocyanic acid, phenylmethyl ester InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2 ABNDFSOIUFLJAH-UHFFFAOYAN benzyl thiocyanate thiocyanatomethylbenzene . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1,1,6-trimethyloctahydro-3H-6,4-(epoxymethano)isochromene-3,10-dione 3,5-ethano-1H,8H-pyrano[3,4-c]pyran-1,8-dione, hexahydro-3,6,6-trimethyl- InChI=1/C13H18O4/c1-12(2)8-4-5-13(3)6-7(8)9(10(14)16-12)11(15)17-13/h7-9H,4-6H2,1-3H3 BOGWRXDLEWNHCD-UHFFFAOYAF Cytrilidenmalonsaeure . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,6-dichlorobenzonitrile benzonitrile, 2,6-dichloro- InChI=1/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H YOYAIZYFCNQIRF-UHFFFAOYAG 2,6-dichlorobenzonitrile . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2,2'-(1,4-phenylene)diacetonitrile 1,4-benzenediacetonitrile InChI=1/C10H8N2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H,5-6H2 FUQCKESKNZBNOG-UHFFFAOYAC p-phenylenediacetonitrile . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

2-(4-chlorophenyl)propanenitrile benzeneacetonitrile, 4-chloro-alpha-methyl- InChI=1/C9H8ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5,7H,1H3 GIZHRKQXPROIGC-UHFFFAOYAB p-chloro-alpha-methylphenylacetonitrile . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

amino(phenyl)acetic acid benzeneacetic acid, alpha-amino- InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11) ZGUNAGUHMKGQNY-UHFFFAOYAB DL-phenylglycine . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)- InChI=1/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20) LNPDTQAFDNKSHK-UHFFFAOYAC 4-(Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

3-Benzyl-hexahydro-pyrrolo[1,2-a]pyrazine-1,4-dione rel-(3R,8aR)-3-benzylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(phenylmethyl)-, (3S,8aS)- InChI=1/C14H16N2O2/c17-13-12-7-4-8-16(12)14(18)11(15-13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,17)/t11-,12-/m0/s1 QZBUWPVZSXDWSB-RYUDHWBXBX Diketopiperazine cyclo(D-Pro-D-Phe) . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

17,21-dihydroxypregna-1,4-diene-3,11,20-trione pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy- InChI=1/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3 XOFYZVNMUHMLCC-UHFFFAOYAE 1-Cortisone Dehydrocortisone Prednisone . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-(2-Hydroxy-4.6-dimethoxy-phenyl)-3-(2-methoxyphenyl)-propenone (2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one 2-propen-1-one, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2-methoxyphenyl)-, (2E)- InChI=1/C18H18O5/c1-21-13-10-15(20)18(17(11-13)23-3)14(19)9-8-12-6-4-5-7-16(12)22-2/h4-11,20H,1-3H3/b9-8+ KKTYCZKXENFEJP-CMDGGOBGBH 2'-Hydroxy-2,4',6'-trimethoxychalcone . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

8-Hydroxy-1-hydroxymethyl-3-methyl-7-(3-methyl-but-2-enyl)-2-(3-methyl-but-2-enyloxy)-xanthen-9-one 8-hydroxy-1-(hydroxymethyl)-3-methyl-7-(3-methylbut-2-en-1-yl)-2-[(3-methylbut-2-en-1-yl)oxy]-9H-xanthen-9-one 9H-xanthen-9-one, 8-hydroxy-1-(hydroxymethyl)-3-methyl-7-(3-methyl-2-butenyl)-2-[(3-methyl-2-butenyl)oxy]- InChI=1/C25H28O5/c1-14(2)6-7-17-8-9-19-22(23(17)27)24(28)21-18(13-26)25(29-11-10-15(3)4)16(5)12-20(21)30-19/h6,8-10,12,26-27H,7,11,13H2,1-5H3 MDBQNLFOBADTEY-UHFFFAOYAR Isoemericellin . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

4-(2-Furan-3-yl-ethyl)-1-hydroxy-3,4a,8,8-tetramethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one rel-(5R,6R,7S)-7-hydroxy-8-oxo-13,20-didehydro-5,6,7,8,11,12,13-octahydro-20:5,10-dicycloretinal 2(1H)-naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-1-hydroxy-3,4a,8,8-tetramethyl-, (1R,4aS,8aS)- InChI=1/C20H28O3/c1-13-15(7-6-14-8-11-23-12-14)20(4)10-5-9-19(2,3)18(20)17(22)16(13)21/h8,11-12,17-18,22H,5-7,9-10H2,1-4H3/t17-,18-,20+/m0/s1 WTPSYXFTGTUODI-CMKODMSKBG 6β-Hydroxy-15,16-epoxylabda-8,13(16),14-trien-7-one . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

methyl rel-(1R,4aR,7R,7aR)-1-(hexopyranosyloxy)-7-[({[(1R,4aR,7R,7aR)-1-(hexopyranosyloxy)-7-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]carbonyl}oxy)methyl]-7-hydroxy-1,4a,7,7a-te cyclopenta[c]pyran-4-carboxylic acid, 1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-7-methyl-, [(1S,4aS,7S,7aS)-1-(hexopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-4-(methoxycarbonyl)cyclopen InChI=1/C33H46O20/c1-32(44)5-3-12-15(10-47-28(18(12)32)52-30-24(40)22(38)20(36)16(7-34)50-30)27(43)49-11-33(45)6-4-13-14(26(42)46-2)9-48-29(19(13)33)53-31-25(41)23(39)21(37)17(8-35)51-31/h4,6,9-10,12-13,16-25,28-31,34-41,44-45H,3,5,7-8,11H2,1-2H3/t12-,13 OPUOJUNLPSQCAF-IYWAGTSRBC Randinoside . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

(5beta,7beta,8alpha,9beta,10alpha,13alpha,15alpha)-7,9-dihydroxy-15-{[(2Z)-2-methylbut-2-enoyl]oxy}kaur-16-en-18-oic acid ergosta-2,5,24-triene-1,26-dione, 22,26-epoxy-20-hydroxy-, (22R)- InChI=1/C25H36O6/c1-6-14(2)20(27)31-19-15(3)16-8-11-25(30)23(5)10-7-9-22(4,21(28)29)17(23)12-18(26)24(19,25)13-16/h6,16-19,26,30H,3,7-13H2,1-2,4-5H3,(H,28,29)/b14-6-/t16?,17-,18+,19+,22-,23-,24-,25-/m1/s1 YOTJIOFPPBIQPT-ZNLPKANABD ent-15β-Angeloyloxy-7α,9α-dihydroxy-kaur-16-en-19-oic acid . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

6-[1-(10,13-Dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-hydroxy-ethyl]-3,4-dimethyl-5,6-dihydro-pyran-2-one (22R)-20-hydroxy-22,26-epoxyergosta-2,5,24-triene-1,26-dione ergosta-2,5,24-triene-1,26-dione, 22,26-epoxy-20-hydroxy-, (22R)- InChI=1/C28H38O4/c1-16-15-24(32-25(30)17(16)2)28(5,31)22-12-11-20-19-10-9-18-7-6-8-23(29)27(18,4)21(19)13-14-26(20,22)3/h6,8-9,19-22,24,31H,7,10-15H2,1-5H3/t19-,20-,21-,22-,24+,26-,27-,28+/m0/s1 VOFPJACKXWOYES-ZJOYFJNABK 20β-Hydroxy-1-oxo-(22R)-witha-2,5,24-trienolide . Information we have got: NMR spectra 13C, 3D coordinates, File formats: CML, mol, png, jpeg

N,N-bis(2-hexyloctyl)-4-[(E)-2-(4-nitrophenyl)vinyl]aniline benzenamine, N,N-bis(2-hexyloctyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]- InChI=1/C42H68N2O2/c1-5-9-13-17-21-39(22-18-14-10-6-2)35-43(36-40(23-19-15-11-7-3)24-20-16-12-8-4)41-31-27-37(28-32-41)25-26-38-29-33-42(34-30-38)44(45)46/h25-34,39-40H,5-24,35-36H2,1-4H3/b26-25+ WOZGLINSLZUWMY-OCEACIFDBD N,N-bis(2-hexyloctyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

rel-(4aR,6bS,10R,12aS,14aR)-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydropicene-4a(2H)-carboxylic acid (non-preferred name) 4a(2H)-picenecarboxylic acid, 1,3,4,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-octadecahydro-10-hydroxy-2,2,6b,9,9,12a,14a-heptamethyl-, (4aS,6bR,10S,12aR,14aS)- InChI=1/C30H48O3/c1-25(2)16-17-30(24(32)33)15-10-21-28(6)12-8-19-26(3,4)23(31)11-14-27(19,5)20(28)9-13-29(21,7)22(30)18-25/h10,19-20,22-23,31H,8-9,11-18H2,1-7H3,(H,32,33)/t19?,20?,22?,23-,27-,28+,29+,30+/m0/s1 BHHPRAFMEFGOLZ-DSSKLKPMBS Aleuritolic acid . Information we have got: NMR spectra 1H, 3D coordinates, File formats: CML, mol, png, jpeg

1-ethynyl-4-[(4-methoxyphenyl)ethynyl]benzene benzene, 1-ethynyl-4-[(4-methoxyphenyl)ethynyl]- InChI=1/C17H12O/c1-3-14-4-6-15(7-5-14)8-9-16-10-12-17(18-2)13-11-16/h1,4-7,10-13H,2H3 KWIPNKXHVQSGMO-UHFFFAOYAS 4-([4-ethynylphenyl)ethynyl]phenyl methyl ether . Information we have got: NMR spectra 13C, 1H, 3D coordinates, File formats: CML, mol, png, jpeg

The list is continued here