biochanin A

Properties Image MNX_ID MNXM1728 reference chebi:58194 formula C16H11O5 global charge -1 mol weight 283.259 InChIKey WUADCCWRTIWANL-UHFFFAOYSA-M InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3/p-1 SMILES COC1=CC=C(C2=COC3=C(C2=O)C(O)=CC([O-])=C3)C=C1 MNX internals InChI (mnx) InChI=1/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 SMILES (mnx) [CH3:1][O:20][C:11]1=[CH:5][CH:3]=[C:9]([C:12]2=[CH:8][O:21][C:14]3=[CH:7][C:10]([OH:17])=[CH:6][C:13]([OH:18])=[C:15]3[C:16]2=[O:19])[CH:2]=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 13 in models (compartimentalized) 0