3,4,5-Trimethoxyphenyl 2,6-digalloylglucoside

Properties Image MNX_ID MNXM117213 reference hmdb:HMDB0039312 formula C29H30O17 global charge 0 mol weight 650.542 InChIKey HGBGRHUFMIOHAP-UHFFFAOYSA-N InChI InChI=1S/C29H30O17/c1-40-18-8-13(9-19(41-2)25(18)42-3)44-29-26(46-28(39)12-6-16(32)22(35)17(33)7-12)24(37)23(36)20(45-29)10-43-27(38)11-4-14(30)21(34)15(31)5-11/h4-9,20,23-24,26,29-37H,10H2,1-3H3 SMILES COC1=CC(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC(OC)=C1OC MNX internals InChI (mnx) InChI=1/C29H30O17/c1-40-18-8-13(9-19(41-2)25(18)42-3)44-29-26(46-28(39)12-6-16(32)22(35)17(33)7-12)24(37)23(36)20(45-29)10-43-27(38)11-4-14(30)21(34)15(31)5-11/h4-9,20,23-24,26,29-37H,10H2,1-3H3/t20?,23?,24?,26?,29? SMILES (mnx) [CH3:1][O:40][C:18]1=[C:25]([O:42][CH3:3])[C:19]([O:41][CH3:2])=[CH:9][C:13]([O:44][CH:29]2[CH:26]([O:46][C:28]([C:12]3=[CH:6][C:16]([OH:32])=[C:22]([OH:35])[C:17]([OH:33])=[CH:7]3)=[O:39])[CH:24]([OH:37])[CH:23]([OH:36])[CH:20]([CH2:10][O:43][C:27]([C:11]3=[CH:4][C:14]([OH:30])=[C:21]([OH:34])[C:15]([OH:31])=[CH:5]3)=[O:38])[O:45]2)=[CH:8]1

Parent-child relations graph

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