Resveratrol 4'-(6-galloylglucoside)

Properties Image MNX_ID MNXM130271 reference chebi:172736 formula C27H26O12 global charge 0 mol weight 542.493 InChIKey HQQSMUBDNVIUPF-UPHRSURJSA-N InChI InChI=1S/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1- SMILES O=C(OCC1OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2)C(O)C(O)C1O)C1=CC(O)=C(O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C27H26O12/c28-16-7-14(8-17(29)11-16)2-1-13-3-5-18(6-4-13)38-27-25(35)24(34)23(33)21(39-27)12-37-26(36)15-9-19(30)22(32)20(31)10-15/h1-11,21,23-25,27-35H,12H2/b2-1-/t21?,23?,24?,25?,27? SMILES (mnx) [CH:1](=[CH:2]\[C:14]1=[CH:7][C:16]([OH:28])=[CH:11][C:17]([OH:29])=[CH:8]1)\[C:13]1=[CH:4][CH:6]=[C:18]([O:38][CH:27]2[CH:25]([OH:35])[CH:24]([OH:34])[CH:23]([OH:33])[CH:21]([CH2:12][O:37][C:26]([C:15]3=[CH:9][C:19]([OH:30])=[C:22]([OH:32])[C:20]([OH:31])=[CH:10]3)=[O:36])[O:39]2)[CH:5]=[CH:3]1

Parent-child relations graph

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