compound 0074216

Properties Image MNX_ID MNXM1190227 reference envipathM:...2f91f102fa6c formula C8H11O4 global charge -1 mol weight 171.172 InChIKey GZADTVXACUEQGE-UHFFFAOYSA-M InChI InChI=1S/C8H12O4/c1-2-6(4-3-5-9)7(10)8(11)12/h5-6H,2-4H2,1H3,(H,11,12)/p-1 SMILES CCC(CCC=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H12O4/c1-2-6(4-3-5-9)7(10)8(11)12/h5-6H,2-4H2,1H3,(H,11,12)/t6? SMILES (mnx) [CH3:1][CH2:2][CH:6]([CH2:4][CH2:3][CH:5]=[O:9])[C:7]([C:8]([OH:11])=[O:12])=[O:10]

Parent-child relations graph

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