KEGG   COMPOUND: C17268Help
Entry
C17268                      Compound                               

Name
Pyruvophenone;
1-Phenyl-1,2-propanedione
Formula
C9H8O2
Exact mass
148.0524
Mol weight
148.1586
Structure
Mol fileKCF fileDB search
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
LinkDB All DBs
KCF data Show

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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