2-O-Caffeoylarbutin

Properties Image MNX_ID MNXM116940 reference chebi:191509 formula C21H22O10 global charge 0 mol weight 434.397 InChIKey SAHZOJQMDIDFST-KRXBUXKQSA-N InChI InChI=1S/C21H22O10/c22-10-16-18(27)19(28)20(21(30-16)29-13-5-3-12(23)4-6-13)31-17(26)8-2-11-1-7-14(24)15(25)9-11/h1-9,16,18-25,27-28H,10H2/b8-2+ SMILES O=C(/C=C/C1=CC(O)=C(O)C=C1)OC1C(OC2=CC=C(O)C=C2)OC(CO)C(O)C1O MNX internals InChI (mnx) InChI=1/C21H22O10/c22-10-16-18(27)19(28)20(21(30-16)29-13-5-3-12(23)4-6-13)31-17(26)8-2-11-1-7-14(24)15(25)9-11/h1-9,16,18-25,27-28H,10H2/b8-2+/t16?,18?,19?,20?,21? SMILES (mnx) [CH:1]1=[CH:7][C:14]([OH:24])=[C:15]([OH:25])[CH:9]=[C:11]1/[CH:2]=[CH:8]/[C:17](=[O:26])[O:31][CH:20]1[CH:19]([OH:28])[CH:18]([OH:27])[CH:16]([CH2:10][OH:22])[O:30][CH:21]1[O:29][C:13]1=[CH:6][CH:4]=[C:12]([OH:23])[CH:3]=[CH:5]1

Parent-child relations graph

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