isoacetovanillone

Properties Image MNX_ID MNXM105793 reference chebi:67899 formula C9H10O3 global charge 0 mol weight 166.176 InChIKey YLTGFGDODHXMFB-UHFFFAOYSA-N InChI InChI=1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3 SMILES COC1=C(O)C=C(C(C)=O)C=C1 MNX internals InChI (mnx) InChI=1/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3 SMILES (mnx) [CH3:1][C:6]([C:7]1=[CH:5][C:8]([OH:11])=[C:9]([O:12][CH3:2])[CH:4]=[CH:3]1)=[O:10]

Parent-child relations graph

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