isovitexin 2''-O-beta-D-glucosyl 7-O-galactoside

Properties Image MNX_ID MNXM168039 reference chebi:167532 formula C33H40O20 global charge 0 mol weight 756.663 InChIKey HCMCYDZSIBHFMM-ZPWJFTFMSA-N InChI InChI=1S/C33H40O20/c34-7-16-23(41)27(45)31(53-33-29(47)26(44)22(40)18(9-36)52-33)30(49-16)20-15(50-32-28(46)25(43)21(39)17(8-35)51-32)6-14-19(24(20)42)12(38)5-13(48-14)10-1-3-11(37)4-2-10/h1-6,16-18,21-23,25-37,39-47H,7-9H2/t16-,17-,18-,21+,22-,23-,25+,26+,27+,28-,29-,30+,31-,32+,33+/m1/s1 SMILES O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=C2 MNX internals InChI (mnx) InChI=1/C33H40O20/c34-7-16-23(41)27(45)31(53-33-29(47)26(44)22(40)18(9-36)52-33)30(49-16)20-15(50-32-28(46)25(43)21(39)17(8-35)51-32)6-14-19(24(20)42)12(38)5-13(48-14)10-1-3-11(37)4-2-10/h1-6,16-18,21-23,25-37,39-47H,7-9H2/t16-,17-,18-,21+,22-,23-,25+,26+,27+,28-,29-,30+,31-,32+,33+/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:11]([OH:37])=[CH:4][CH:2]=[C:10]1[C:13]1=[CH:5][C:12](=[O:38])[C:19]2=[C:14]([CH:6]=[C:15]([O:50][C@@H:32]3[C@H:28]([OH:46])[C@@H:25]([OH:43])[C@@H:21]([OH:39])[C@@H:17]([CH2:8][OH:35])[O:51]3)[C:20]([C@H:30]3[C@H:31]([O:53][C@H:33]4[C@H:29]([OH:47])[C@@H:26]([OH:44])[C@H:22]([OH:40])[C@@H:18]([CH2:9][OH:36])[O:52]4)[C@@H:27]([OH:45])[C@H:23]([OH:41])[C@@H:16]([CH2:7][OH:34])[O:49]3)=[C:24]2[OH:42])[O:48]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0