compound 0061048

Properties Image MNX_ID MNXM1189872 reference envipathM:...616a95f2ca4d formula C7H13O4 global charge -1 mol weight 161.177 InChIKey WEEOVVJXNIMIII-UHFFFAOYSA-M InChI InChI=1S/C7H14O4/c1-7(2,11)4-5(8)3-6(9)10/h5,8,11H,3-4H2,1-2H3,(H,9,10)/p-1 SMILES CC(C)(O)CC(O)CC(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H14O4/c1-7(2,11)4-5(8)3-6(9)10/h5,8,11H,3-4H2,1-2H3,(H,9,10)/t5? SMILES (mnx) [CH3:1][C:7]([CH3:2])([CH2:4][CH:5]([CH2:3][C:6](=[O:9])[OH:10])[OH:8])[OH:11]

Parent-child relations graph

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