6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside

Properties Image MNX_ID MNXM102073 reference chebi:65664 formula C23H26O10 global charge 0 mol weight 462.451 InChIKey DNMNWOHCZHSQAI-FZYQUXMESA-N InChI InChI=1S/C23H26O10/c24-15-5-1-13(2-6-15)4-8-19(27)32-12-18-20(28)21(29)22(30)23(33-18)31-10-9-14-3-7-16(25)17(26)11-14/h1-8,11,18,20-26,28-30H,9-10,12H2/b8-4+/t18-,20-,21+,22-,23-/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)OC[C@H]1O[C@@H](OCCC2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C23H26O10/c24-15-5-1-13(2-6-15)4-8-19(27)32-12-18-20(28)21(29)22(30)23(33-18)31-10-9-14-3-7-16(25)17(26)11-14/h1-8,11,18,20-26,28-30H,9-10,12H2/b8-4+/t18-,20-,21+,22-,23-/m1/s1 SMILES (mnx) [CH:1]1=[CH:5][C:15]([OH:24])=[CH:6][CH:2]=[C:13]1/[CH:4]=[CH:8]/[C:19](=[O:27])[O:32][CH2:12][C@@H:18]1[C@@H:20]([OH:28])[C@H:21]([OH:29])[C@@H:22]([OH:30])[C@H:23]([O:31][CH2:10][CH2:9][C:14]2=[CH:11][C:17]([OH:26])=[C:16]([OH:25])[CH:7]=[CH:3]2)[O:33]1

Parent-child relations graph

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