Gallic acid 3-O-(6-galloylglucoside)

Properties Image MNX_ID MNXM125834 reference hmdb:HMDB0039325 formula C20H20O14 global charge 0 mol weight 484.366 InChIKey NRQUZRZEYPSZEY-UHFFFAOYSA-N InChI InChI=1S/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30) SMILES O=C(O)C1=CC(O)=C(O)C(OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1 MNX internals InChI (mnx) InChI=1/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30)/t12?,15?,16?,17?,20? SMILES (mnx) [CH:1]1=[C:6]([C:18](=[O:29])[OH:30])[CH:4]=[C:11]([O:33][CH:20]2[CH:17]([OH:28])[CH:16]([OH:27])[CH:15]([OH:26])[CH:12]([CH2:5][O:32][C:19]([C:7]3=[CH:2][C:8]([OH:21])=[C:13]([OH:24])[C:9]([OH:22])=[CH:3]3)=[O:31])[O:34]2)[C:14]([OH:25])=[C:10]1[OH:23]

Parent-child relations graph

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