KEGG   COMPOUND: C17268
Entry
C17268                      Compound                               

Name
Pyruvophenone;
1-Phenyl-1,2-propanedione
Formula
C9H8O2
Exact mass
148.0524
Mol weight
148.1586
Structure
Reaction
Pathway
map00360  Phenylalanine metabolism
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
Enzyme
2.6.1.-
Other DBs
CAS: 579-07-7
PubChem: 96023675
ChEBI: 63552
ChEMBL: CHEMBL192258
NIKKAJI: J95.015G
KCF data

ATOM        11
            1   C8x C    39.6746  -39.8731
            2   C8x C    39.6746  -41.2711
            3   C8x C    40.8853  -41.9702
            4   C8x C    42.0961  -41.2711
            5   C8y C    42.0961  -39.8731
            6   C8x C    40.8853  -39.1740
            7   C5a C    43.3319  -39.1740
            8   C5a C    44.5427  -39.8731
            9   C1a C    45.7535  -39.1740
            10  O5a O    44.5427  -41.2709
            11  O5a O    43.3381  -37.7763
BOND        11
            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    8  10 2
            11    7  11 2

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