2-O-(4-Hydroxycinnamoyl)-1-O-galloyl-beta-D-glucopyranoside

Properties Image MNX_ID MNXM116927 reference chebi:192006 formula C22H22O12 global charge 0 mol weight 478.406 InChIKey SWCFDHFIUQJCLJ-UTCJRWHESA-N InChI InChI=1S/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3- SMILES O=C(/C=C\C1=CC=C(O)C=C1)OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(CO)C(O)C1O MNX internals InChI (mnx) InChI=1/C22H22O12/c23-9-15-18(29)19(30)20(33-16(27)6-3-10-1-4-12(24)5-2-10)22(32-15)34-21(31)11-7-13(25)17(28)14(26)8-11/h1-8,15,18-20,22-26,28-30H,9H2/b6-3-/t15?,18?,19?,20?,22? SMILES (mnx) [CH:1]1=[CH:4][C:12]([OH:24])=[CH:5][CH:2]=[C:10]1/[CH:3]=[CH:6]\[C:16](=[O:27])[O:33][CH:20]1[CH:19]([OH:30])[CH:18]([OH:29])[CH:15]([CH2:9][OH:23])[O:32][CH:22]1[O:34][C:21]([C:11]1=[CH:7][C:13]([OH:25])=[C:17]([OH:28])[C:14]([OH:26])=[CH:8]1)=[O:31]

Parent-child relations graph

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