KEGG   COMPOUND: C07114Help
Entry
C07114                      Compound                               

Name
3-Oxo-3-phenylpropanoate;
Benzoylacetate;
3-Oxo-3-phenylpropionate;
3-Oxo-3-phenylpropionic acid
Formula
C9H8O3
Exact mass
164.0473
Mol weight
164.158
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Ethylbenzene degradation
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Enzyme
6.2.1.-         6.4.1.8
Other DBs
CAS: 
29285-17-4 614-20-0
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8x C    17.7800  -19.6700
            2   C8x C    17.7800  -21.0700
            3   C8x C    18.9924  -21.7700
            4   C8x C    20.2049  -21.0700
            5   C8y C    20.2049  -19.6700
            6   C8x C    18.9924  -18.9700
            7   C5a C    21.4424  -18.9700
            8   C1b C    22.6549  -19.6700
            9   C6a C    23.8673  -18.9700
            10  O6a O    25.0797  -19.6700
            11  O5a O    21.4486  -17.5703
            12  O6a O    23.8673  -17.5700
BOND        12
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    7  11 2
            12    9  12 2

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