compound 0230355

Properties Image MNX_ID MNXM1170036 reference envipathM:...e8d7c019cbd9 formula C9H15O4 global charge -1 mol weight 187.215 InChIKey QXRHTIPNXXWFFF-UHFFFAOYSA-M InChI InChI=1S/C9H16O4/c1-5(9(2,3)12)7(8(10)11)6-4-13-6/h5-7,12H,4H2,1-3H3,(H,10,11)/p-1 SMILES CC(C(C(=O)[O-])C1CO1)C(C)(C)O MNX internals InChI (mnx) InChI=1/C9H16O4/c1-5(9(2,3)12)7(8(10)11)6-4-13-6/h5-7,12H,4H2,1-3H3,(H,10,11)/t5?,6?,7? SMILES (mnx) [CH3:1][CH:5]([CH:7]([CH:6]1[CH2:4][O:13]1)[C:8](=[O:10])[OH:11])[C:9]([CH3:2])([CH3:3])[OH:12]

Parent-child relations graph

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