(3S)-2-oxo-3-phenylbutanoate

Properties Image MNX_ID MNXM145715 reference chebi:74119 formula C10H9O3 global charge -1 mol weight 177.179 InChIKey AXLLOSUYAVXOIN-ZETCQYMHSA-M InChI InChI=1S/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/p-1/t7-/m0/s1 SMILES C[C@H](C(=O)C(=O)[O-])C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C10H10O3/c1-7(9(11)10(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)/t7-/m0/s1 SMILES (mnx) [CH3:1][C@@H:7]([C:8]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[C:9]([C:10]([OH:12])=[O:13])=[O:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1