isoformononetin

Properties Image MNX_ID MNXM8758 reference chebi:29608 formula C16H12O4 global charge 0 mol weight 268.268 InChIKey LNIQZRIHAMVRJA-UHFFFAOYSA-N InChI InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3 SMILES COC1=CC=C2C(=O)C(C3=CC=C(O)C=C3)=COC2=C1 MNX internals InChI (mnx) InChI=1/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3 SMILES (mnx) [CH3:1][O:19][C:12]1=[CH:8][C:15]2=[C:13]([CH:7]=[CH:6]1)[C:16](=[O:18])[C:14]([C:10]1=[CH:3][CH:5]=[C:11]([OH:17])[CH:4]=[CH:2]1)=[CH:9][O:20]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0