isovitexin 7-O-galactoside

Properties Image MNX_ID MNXM168040 reference chebi:167533 formula C27H30O15 global charge 0 mol weight 594.522 InChIKey HGUVPEBGCAVWID-MKTWGIEUSA-N InChI InChI=1S/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20+,22+,23+,24-,25-,26+,27+/m1/s1 SMILES O=C1C=C(C2=CC=C(O)C=C2)OC2=CC(O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C12 MNX internals InChI (mnx) InChI=1/C27H30O15/c28-7-15-19(32)22(35)24(37)26(40-15)18-14(41-27-25(38)23(36)20(33)16(8-29)42-27)6-13-17(21(18)34)11(31)5-12(39-13)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2/t15-,16-,19-,20+,22+,23+,24-,25-,26+,27+/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:10]([OH:30])=[CH:4][CH:2]=[C:9]1[C:12]1=[CH:5][C:11](=[O:31])[C:17]2=[C:13]([CH:6]=[C:14]([O:41][C@@H:27]3[C@H:25]([OH:38])[C@@H:23]([OH:36])[C@@H:20]([OH:33])[C@@H:16]([CH2:8][OH:29])[O:42]3)[C:18]([C@H:26]3[C@H:24]([OH:37])[C@@H:22]([OH:35])[C@H:19]([OH:32])[C@@H:15]([CH2:7][OH:28])[O:40]3)=[C:21]2[OH:34])[O:39]1

Parent-child relations graph

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