Marvin 03130812182D 51 53 0 0 1 0 999 V2000 1.4289 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8578 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8578 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1435 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 6 0 0 0 1 47 1 0 0 0 0 47 51 1 6 0 0 0 2 1 1 0 0 0 0 2 14 1 6 0 0 0 47 3 1 0 0 0 0 2 4 1 0 0 0 0 4 16 1 6 0 0 0 3 5 1 0 0 0 0 5 19 1 6 0 0 0 4 6 1 0 0 0 0 6 21 1 1 0 0 0 5 7 1 0 0 0 0 7 25 2 0 0 0 0 6 8 1 0 0 0 0 8 28 2 0 0 0 0 9 7 1 0 0 0 0 9 32 1 1 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 11 36 1 1 0 0 0 12 10 1 0 0 0 0 12 41 1 6 0 0 0 46 12 1 0 0 0 0 11 46 1 0 0 0 0 46 50 1 6 0 0 0 15 13 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 20 16 1 6 0 0 0 17 22 1 0 0 0 0 17 23 1 1 0 0 0 18 24 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 6 0 0 0 24 31 1 6 0 0 0 24 29 1 0 0 0 0 26 40 1 0 0 0 0 27 33 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 33 38 1 1 0 0 0 33 37 1 0 0 0 0 40 37 1 0 0 0 0 37 39 1 6 0 0 0 40 43 1 6 0 0 0 40 45 1 1 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 46 48 1 1 0 0 0 47 49 1 1 0 0 0 M END > CHEBI:42355 > erythromycin A > An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-β-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively. > 3 > CHEBI:112506; CHEBI:42352; CHEBI:4841; CHEBI:4843; CHEBI:23950; CHEBI:28672 > Erythromycin C; Erythromycin A; ERYTHROMYCIN A; Erythromycin A; ERYTHROMYCIN; Erythromycin; Erythromycin; erthromycin; Abomacetin; 3''-O-demethylerythromycin; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione > erythromycin; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione > erythromycinum; erythromycine; erythromycin; eritromicina > C37H67NO13 > 733.92680 > 733.46124 > 0 > CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O > InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 > ULGZDMOVFRHVEP-RWJQBGPGSA-N > 75279 > 114-07-8 > 75279 > 1675-02-1 > DB00199 > C01912 > D00140 > LSM-3416 > LMPK04000006 > CPD-13804 > ERY $$$$