compound 0216316

Properties Image MNX_ID MNXM1171586 reference envipathM:...d63d931e98e5 formula C8H13O4 global charge -1 mol weight 173.188 InChIKey OONDDNFJRKFILQ-UHFFFAOYSA-M InChI InChI=1S/C8H14O4/c1-6(5-9)2-3-7(10)4-8(11)12/h5-7,10H,2-4H2,1H3,(H,11,12)/p-1 SMILES CC(C=O)CCC(O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C8H14O4/c1-6(5-9)2-3-7(10)4-8(11)12/h5-7,10H,2-4H2,1H3,(H,11,12)/t6?,7? SMILES (mnx) [CH3:1][CH:6]([CH2:2][CH2:3][CH:7]([CH2:4][C:8](=[O:11])[OH:12])[OH:10])[CH:5]=[O:9]

Parent-child relations graph

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