3-Methylellagic acid 8-rhamnoside

Properties Image MNX_ID MNXM117559 reference chebi:191529 formula C21H18O12 global charge 0 mol weight 462.363 InChIKey UNIJYMVRSKZTJI-UHFFFAOYSA-N InChI InChI=1S/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3 SMILES COC1=C2OC(=O)C3=C4C(=C(OC5OC(C)C(O)C(O)C5O)C(O)=C3)OC(=O)C(=C24)C=C1O MNX internals InChI (mnx) InChI=1/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3/t5?,12?,13?,14?,21? SMILES (mnx) [CH3:1][CH:5]1[CH:12]([OH:24])[CH:13]([OH:25])[CH:14]([OH:26])[CH:21]([O:33][C:16]2=[C:18]3[C:11]4=[C:7]([CH:4]=[C:9]2[OH:23])[C:19](=[O:27])[O:31][C:17]2=[C:10]4[C:6](=[CH:3][C:8]([OH:22])=[C:15]2[O:29][CH3:2])[C:20](=[O:28])[O:32]3)[O:30]1

Parent-child relations graph

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