an anthocyanidin 3,5-di-O-beta-D-glucoside

Properties Image MNX_ID MNXM739552 reference chebi:57503 formula C27H28O15*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]C1=CC(C2=[O+]C3=C(C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC([O-])=C3)=CC([*])=C1O MNX internals InChI (mnx) InChI=1/C29H34O15/c1-10-3-12(4-11(2)20(10)33)27-17(42-29-26(39)24(37)22(35)19(9-31)44-29)7-14-15(40-27)5-13(32)6-16(14)41-28-25(38)23(36)21(34)18(8-30)43-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:10]1=[CH:3][C:12]([C:27]2=[O+:40][C:15]3=[C:14]([CH:7]=[C:17]2[O:42][C@H:29]2[C@H:26]([OH:39])[C@@H:24]([OH:37])[C@H:22]([OH:35])[C@@H:19]([CH2:9][OH:31])[O:44]2)[C:16]([O:41][C@H:28]2[C@H:25]([OH:38])[C@@H:23]([OH:36])[C@H:21]([OH:34])[C@@H:18]([CH2:8][OH:30])[O:43]2)=[CH:6][C:13]([OH:32])=[CH:5]3)=[CH:4][C:11]([13CH3:2])=[C:20]1[O-:33]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0