4'-O-methyl-(-)-epicatechin-3'-O-beta-glucuronide

Properties Image MNX_ID MNXM117721 reference chebi:172714 formula C23H26O12 global charge 0 mol weight 494.449 InChIKey FSEFRWXTJLHUBQ-QHZMYPFFSA-N InChI InChI=1S/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1 SMILES COCC1=C(O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)C=C(C2OC3=C(C[C@@H]2O)C(O)=CC(O)=C3)C=C1 MNX internals InChI (mnx) InChI=1/C23H26O12/c1-32-8-10-3-2-9(20-14(26)7-12-13(25)5-11(24)6-16(12)33-20)4-15(10)34-23-19(29)17(27)18(28)21(35-23)22(30)31/h2-6,14,17-21,23-29H,7-8H2,1H3,(H,30,31)/t14-,17-,18-,19?,20?,21?,23+/m0/s1 SMILES (mnx) [CH3:1][O:32][CH2:8][C:10]1=[C:15]([O:34][C@H:23]2[CH:19]([OH:29])[C@@H:17]([OH:27])[C@H:18]([OH:28])[CH:21]([C:22](=[O:30])[OH:31])[O:35]2)[CH:4]=[C:9]([CH:20]2[C@@H:14]([OH:26])[CH2:7][C:12]3=[C:13]([OH:25])[CH:5]=[C:11]([OH:24])[CH:6]=[C:16]3[O:33]2)[CH:2]=[CH:3]1

Parent-child relations graph

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