(E)-5-methyl-2-oxo-3-hex-3-enedioate

Properties Image MNX_ID MNXM736138 reference metacycM:CPD-9164 formula C7H6O5 global charge -2 mol weight 170.12 InChIKey OQBDUIUEEGGDSS-NSCUHMNNSA-L InChI InChI=1S/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-4H,1H3,(H,9,10)(H,11,12)/p-2/b3-2+ SMILES CC(/C=C/C(=O)C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H8O5/c1-4(6(9)10)2-3-5(8)7(11)12/h2-4H,1H3,(H,9,10)(H,11,12)/b3-2+/t4? SMILES (mnx) [CH3:1][CH:4](/[CH:2]=[CH:3]/[C:5]([C:7]([OH:11])=[O:12])=[O:8])[C:6](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0