3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside

Properties Image MNX_ID MNXM29973 reference chebi:177926 formula C21H22O13 global charge 0 mol weight 482.394 InChIKey RJTJWBXACHKQNE-ZHSGHMAKSA-N InChI InChI=1S/C21H22O13/c22-6-13-17(30)18(31)19(32)21(33-13)34-20-14(10(25)5-12(27)16(20)29)15(28)11(26)4-7-1-2-8(23)9(24)3-7/h1-5,13,17-19,21-27,29-32H,6H2/b11-4-/t13-,17-,18-,19-,21+/m1/s1 SMILES O=C(C1=C(O)C=C(O)C(O)=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)/C(O)=C/C1=CC(O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C21H22O13/c22-6-13-17(30)18(31)19(32)21(33-13)34-20-14(10(25)5-12(27)16(20)29)15(28)11(26)4-7-1-2-8(23)9(24)3-7/h1-5,13,17-19,21-27,29-32H,6H2/b11-4-/t13-,17-,18-,19-,21+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8]([OH:23])=[C:9]([OH:24])[CH:3]=[C:7]1/[CH:4]=[C:11](/[C:15]([C:14]1=[C:20]([O:34][C@H:21]2[C@H:19]([OH:32])[C@H:18]([OH:31])[C@H:17]([OH:30])[C@@H:13]([CH2:6][OH:22])[O:33]2)[C:16]([OH:29])=[C:12]([OH:27])[CH:5]=[C:10]1[OH:25])=[O:28])[OH:26]

Parent-child relations graph

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