compound 0216568

Properties Image MNX_ID MNXM1196171 reference envipathM:...da260c2c0a40 formula C9H15O4 global charge -1 mol weight 187.215 InChIKey PIRTWCZUYVABNX-GQCTYLIASA-M InChI InChI=1S/C9H16O4/c1-9(2,13)6-4-3-5-7(10)8(11)12/h4,6-7,10,13H,3,5H2,1-2H3,(H,11,12)/p-1/b6-4+ SMILES CC(C)(O)/C=C/CCC(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C9H16O4/c1-9(2,13)6-4-3-5-7(10)8(11)12/h4,6-7,10,13H,3,5H2,1-2H3,(H,11,12)/b6-4+/t7? SMILES (mnx) [CH3:1][C:9]([CH3:2])(/[CH:6]=[CH:4]/[CH2:3][CH2:5][CH:7]([C:8](=[O:11])[OH:12])[OH:10])[OH:13]

Parent-child relations graph

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