compound 0216341

Properties Image MNX_ID MNXM1185443 reference envipathM:...7ac82b30a61d formula C8H11O4 global charge -1 mol weight 171.172 InChIKey XRXIWGTXCNGRMQ-UHFFFAOYSA-M InChI InChI=1S/C8H12O4/c1-5(2)7(10)3-6(9)4-8(11)12/h5H,3-4H2,1-2H3,(H,11,12)/p-1 SMILES CC(C)C(=O)CC(=O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H12O4/c1-5(2)7(10)3-6(9)4-8(11)12/h5H,3-4H2,1-2H3,(H,11,12) SMILES (mnx) [CH3:1][CH:5]([CH3:2])[C:7]([CH2:3][C:6]([CH2:4][C:8](=[O:11])[OH:12])=[O:9])=[O:10]

Parent-child relations graph

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