Marvin 10010716402D 43 47 0 0 0 0 999 V2000 -1.6875 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 1.2250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1704 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1704 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 1.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 3.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5993 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0282 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1164 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 1.2250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5534 1.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5204 -0.0266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5204 -0.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2595 1.1964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8144 0.4001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0999 -0.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2430 0.3716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9575 -0.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9740 1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6885 1.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4029 1.6089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4029 2.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8319 2.4339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5463 2.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8319 1.6089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5463 1.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1174 1.1964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1174 0.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1174 2.8464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1174 3.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 1 3 1 0 0 0 0 15 2 1 0 0 0 0 2 13 2 0 0 0 0 13 4 1 0 0 0 0 21 3 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 21 6 1 0 0 0 0 11 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 6 0 0 0 8 7 2 0 0 0 0 7 9 1 0 0 0 0 16 8 1 0 0 0 0 16 18 2 0 0 0 0 9 10 2 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 23 22 1 1 0 0 0 28 23 1 0 0 0 0 24 23 1 0 0 0 0 24 27 1 0 0 0 0 27 30 1 0 0 0 0 30 25 1 0 0 0 0 25 28 1 0 0 0 0 25 26 1 1 0 0 0 27 32 1 1 0 0 0 28 29 1 6 0 0 0 30 31 1 6 0 0 0 32 33 1 0 0 0 0 34 33 1 1 0 0 0 40 34 1 0 0 0 0 34 35 1 0 0 0 0 42 36 1 0 0 0 0 42 35 1 0 0 0 0 36 38 1 0 0 0 0 38 40 1 0 0 0 0 36 37 1 1 0 0 0 38 39 1 6 0 0 0 40 41 1 6 0 0 0 42 43 1 6 0 0 0 M END > CHEBI:28775 > hesperidin > A disaccharide derivative that consists of hesperetin substituted by a 6-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. > 3 > CHEBI:5682; CHEBI:24530 > Hesperidoside; Hesperidin; Hesperetin 7-O-rutinoside; Ciratin; Cirantin; (S)-(-)-hesperidin; (2S)-hesperidin > (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside > C28H34O15 > 610.56056 > 610.18977 > 0 > COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1 > InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 > QUQPHWDTPGMPEX-QJBIFVCTSA-N > 75140 > 520-26-3 > 75140 > 520-26-3 > DB04703 > C09755 > D01038 > C00000970 > LSM-2858 > CPD-7075 > Hesperidin $$$$