an anthocyanidin 3-O-beta-D-glucoside

Properties Image MNX_ID MNXM738235 reference chebi:16307 formula C21H19O10*2 global charge 1 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)=CC(O)=C3)=CC([*])=C1O MNX internals InChI (mnx) InChI=1/C23H24O10/c1-9-3-11(4-10(2)18(9)27)22-16(7-13-14(26)5-12(25)6-15(13)31-22)32-23-21(30)20(29)19(28)17(8-24)33-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/t17-,19-,20+,21-,23-/m1/s1/i1+1,2+1 SMILES (mnx) [13CH3:1][C:9]1=[CH:3][C:11]([C:22]2=[O+:31][C:15]3=[CH:6][C:12]([OH:25])=[CH:5][C:14]([OH:26])=[C:13]3[CH:7]=[C:16]2[O:32][C@H:23]2[C@H:21]([OH:30])[C@@H:20]([OH:29])[C@H:19]([OH:28])[C@@H:17]([CH2:8][OH:24])[O:33]2)=[CH:4][C:10]([13CH3:2])=[C:18]1[O-:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 2