3-O-Methylcoumestrol

Properties Image MNX_ID MNXM117584 reference chebi:174678 formula C16H10O5 global charge 0 mol weight 282.251 InChIKey YQBVKPREVBFWSA-UHFFFAOYSA-N InChI InChI=1S/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3 SMILES COC1=CC2=C(C=C1)C1=C(C(=O)O2)C2=C(C=C(O)C=C2)O1 MNX internals InChI (mnx) InChI=1/C16H10O5/c1-19-9-3-5-11-13(7-9)21-16(18)14-10-4-2-8(17)6-12(10)20-15(11)14/h2-7,17H,1H3 SMILES (mnx) [CH3:1][O:19][C:9]1=[CH:3][CH:5]=[C:11]2[C:13](=[CH:7]1)[O:21][C:16](=[O:18])[C:14]1=[C:15]2[O:20][C:12]2=[C:10]1[CH:4]=[CH:2][C:8]([OH:17])=[CH:6]2

Parent-child relations graph

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