Anthocyanin 3'-O-beta-D-glucoside

Properties Image MNX_ID MNXM726484 reference chebi:79976 formula C21H21O7 global charge 1 mol weight 385.392 InChIKey MEQJMMBFNYEOGP-GQUPQBGVSA-N InChI InChI=1S/C21H21O7/c22-11-16-17(23)18(24)19(25)21(28-16)27-15-10-13-8-4-5-9-14(13)26-20(15)12-6-2-1-3-7-12/h1-10,16-19,21-25H,11H2/q+1/t16-,17-,18+,19-,21-/m1/s1 SMILES OC[C@H]1O[C@@H](OC2=CC3=CC=CC=C3[O+]=C2C2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C21H21O7/c22-11-16-17(23)18(24)19(25)21(28-16)27-15-10-13-8-4-5-9-14(13)26-20(15)12-6-2-1-3-7-12/h1-10,16-19,21-25H,11H2/q+1/t16-,17-,18+,19-,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:12]([C:20]2=[O+:26][C:14]3=[CH:9][CH:5]=[CH:4][CH:8]=[C:13]3[CH:10]=[C:15]2[O:27][C@H:21]2[C@H:19]([OH:25])[C@@H:18]([OH:24])[C@H:17]([OH:23])[C@@H:16]([CH2:11][OH:22])[O:28]2)[CH:7]=[CH:3]1

Parent-child relations graph

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