E-3-carboxy-2-pentenedioate 6-methyl ester

Properties Image MNX_ID MNXM735058 reference biggM:aconm formula C7H6O6 global charge -2 mol weight 186.119 InChIKey BRYKYSQCLNCYQW-UHFFFAOYSA-L InChI InChI=1S/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/p-2 SMILES COC(=O)C(=CC(=O)[O-])CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)/b4-2? SMILES (mnx) [CH3:1][O:13][C:7]([C:4](=[CH:2][C:5](=[O:8])[OH:9])[CH2:3][C:6](=[O:10])[OH:11])=[O:12]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 2