5,7,8-Trihydroxyflavanone 7-glucoside

Properties Image MNX_ID MNXM118097 reference chebi:196621 formula C21H22O10 global charge 0 mol weight 434.397 InChIKey BDRAFLNAVDEXHK-UHFFFAOYSA-N InChI InChI=1S/C21H22O10/c22-8-14-16(25)18(27)19(28)21(31-14)30-13-7-11(24)15-10(23)6-12(29-20(15)17(13)26)9-4-2-1-3-5-9/h1-5,7,12,14,16,18-19,21-22,24-28H,6,8H2 SMILES O=C1CC(C2=CC=CC=C2)OC2=C1C(O)=CC(OC1OC(CO)C(O)C(O)C1O)=C2O MNX internals InChI (mnx) InChI=1/C21H22O10/c22-8-14-16(25)18(27)19(28)21(31-14)30-13-7-11(24)15-10(23)6-12(29-20(15)17(13)26)9-4-2-1-3-5-9/h1-5,7,12,14,16,18-19,21-22,24-28H,6,8H2/t12?,14?,16?,18?,19?,21? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([CH:12]2[CH2:6][C:10](=[O:23])[C:15]3=[C:20]([C:17]([OH:26])=[C:13]([O:30][CH:21]4[CH:19]([OH:28])[CH:18]([OH:27])[CH:16]([OH:25])[CH:14]([CH2:8][OH:22])[O:31]4)[CH:7]=[C:11]3[OH:24])[O:29]2)[CH:5]=[CH:3]1

Parent-child relations graph

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