ellagic acid

Properties Image MNX_ID MNXM17482 reference chebi:4775 formula C14H6O8 global charge 0 mol weight 302.194 InChIKey AFSDNFLWKVMVRB-UHFFFAOYSA-N InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H SMILES O=C1OC2=C3C(=CC(O)=C2O)C(=O)OC2=C3C1=CC(O)=C2O MNX internals InChI (mnx) InChI=1/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H SMILES (mnx) [CH:1]1=[C:3]2[C:7]3=[C:11]([C:9]([OH:17])=[C:5]1[OH:15])[O:22][C:14](=[O:20])[C:4]1=[C:8]3[C:12](=[C:10]([OH:18])[C:6]([OH:16])=[CH:2]1)[O:21][C:13]2=[O:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0