6-O-p-Coumaroyl-1,2-digalloylglucose

Properties Image MNX_ID MNXM118470 reference hmdb:HMDB0039170 formula C29H26O16 global charge 0 mol weight 630.511 InChIKey QDSDUIWGMCGLHI-ZZXKWVIFSA-N InChI InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+ SMILES O=C(/C=C/C1=CC=C(O)C=C1)OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O MNX internals InChI (mnx) InChI=1/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+/t20?,24?,25?,26?,29? SMILES (mnx) [CH:1]1=[CH:4][C:15]([OH:30])=[CH:5][CH:2]=[C:12]1/[CH:3]=[CH:6]/[C:21](=[O:35])[O:42][CH2:11][CH:20]1[CH:24]([OH:38])[CH:25]([OH:39])[CH:26]([O:44][C:27]([C:13]2=[CH:7][C:16]([OH:31])=[C:22]([OH:36])[C:17]([OH:32])=[CH:8]2)=[O:40])[CH:29]([O:45][C:28]([C:14]2=[CH:9][C:18]([OH:33])=[C:23]([OH:37])[C:19]([OH:34])=[CH:10]2)=[O:41])[O:43]1

Parent-child relations graph

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