Pelargonidin 3-galactoside-5-glucoside

Properties Image MNX_ID MNXM29271 reference lipidmapsM:LMPK12010010 formula C27H31O15 global charge 1 mol weight 595.53 InChIKey SLCKJKWFULXZBD-HGHVJJQGSA-O InChI InChI=1S/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20+,21+,22+,23-,24-,26-,27-/m1/s1 SMILES OC[C@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)[O+]=C3C=C(O)C=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)[C@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C27H30O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/t17-,18-,19-,20+,21+,22+,23-,24-,26-,27-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:11]([OH:30])=[CH:4][CH:2]=[C:10]1[C:25]1=[O+:38][C:14]2=[C:13]([CH:7]=[C:16]1[O:40][C@H:27]1[C@H:24]([OH:37])[C@@H:22]([OH:35])[C@@H:20]([OH:33])[C@@H:18]([CH2:9][OH:29])[O:42]1)[C:15]([O:39][C@H:26]1[C@H:23]([OH:36])[C@@H:21]([OH:34])[C@H:19]([OH:32])[C@@H:17]([CH2:8][OH:28])[O:41]1)=[CH:6][C:12]([O-:31])=[CH:5]2

Parent-child relations graph

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