Pelargonidin 3-glucoside

Properties Image MNX_ID MNXM1368464 reference seedM:cpd08919 formula C21H20O10 global charge 0 mol weight 432.381 InChIKey NVBLGZSVOCZYSB-GQUPQBGVSA-N InChI InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-24,26-28H,8H2/t16-,17-,18+,19-,21-/m1/s1 SMILES O=C1C=C(O)C=C2OC(C3=CC=C(O)C=C3)=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C12 MNX internals InChI (mnx) InChI=1/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-24,26-28H,8H2/t16-,17-,18+,19-,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:10]([OH:23])=[CH:4][CH:2]=[C:9]1[C:20]1=[C:15]([O:30][C@H:21]2[C@H:19]([OH:28])[C@@H:18]([OH:27])[C@H:17]([OH:26])[C@@H:16]([CH2:8][OH:22])[O:31]2)[CH:7]=[C:12]2[C:13](=[O:25])[CH:5]=[C:11]([OH:24])[CH:6]=[C:14]2[O:29]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 15 in models (compartimentalized) 0