compound 0216516

Properties Image MNX_ID MNXM1138748 reference envipathM:...c6a7791f6188 formula C8H13O4 global charge -1 mol weight 173.188 InChIKey DOVAULFPTIUGJB-UHFFFAOYSA-M InChI InChI=1S/C8H14O4/c1-5(2)3-6(9)7(10)4-8(11)12/h5-6,9H,3-4H2,1-2H3,(H,11,12)/p-1 SMILES CC(C)CC(O)C(=O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H14O4/c1-5(2)3-6(9)7(10)4-8(11)12/h5-6,9H,3-4H2,1-2H3,(H,11,12)/t6? SMILES (mnx) [CH3:1][CH:5]([CH3:2])[CH2:3][CH:6]([C:7]([CH2:4][C:8](=[O:11])[OH:12])=[O:10])[OH:9]

Parent-child relations graph

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