kaempferol 3-O-beta-D-glucosylgalactoside

Properties Image MNX_ID MNXM11933 reference chebi:80528 formula C27H30O16 global charge 0 mol weight 610.521 InChIKey LKZDFKLGDGSGEO-PABQPRPFSA-N InChI InChI=1S/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18+,20+,21+,22-,25-,26+,27+/m1/s1 SMILES O=C1C(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12 MNX internals InChI (mnx) InChI=1/C27H30O16/c28-7-14-17(33)20(36)22(38)26(40-14)43-25-21(37)18(34)15(8-29)41-27(25)42-24-19(35)16-12(32)5-11(31)6-13(16)39-23(24)9-1-3-10(30)4-2-9/h1-6,14-15,17-18,20-22,25-34,36-38H,7-8H2/t14-,15-,17-,18+,20+,21+,22-,25-,26+,27+/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:10]([OH:30])=[CH:4][CH:2]=[C:9]1[C:23]1=[C:24]([O:42][C@H:27]2[C@H:25]([O:43][C@H:26]3[C@H:22]([OH:38])[C@@H:20]([OH:36])[C@H:17]([OH:33])[C@@H:14]([CH2:7][OH:28])[O:40]3)[C@@H:21]([OH:37])[C@@H:18]([OH:34])[C@@H:15]([CH2:8][OH:29])[O:41]2)[C:19](=[O:35])[C:16]2=[C:12]([OH:32])[CH:5]=[C:11]([OH:31])[CH:6]=[C:13]2[O:39]1

Parent-child relations graph

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