KEGG   COMPOUND: C17268
Entry
C17268                      Compound                               
Name
Pyruvophenone;
1-Phenyl-1,2-propanedione
Formula
C9H8O2
Exact mass
148.0524
Mol weight
148.16
Structure
Reaction
R09088 R09089
Pathway
map00996  Biosynthesis of various alkaloids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
2.6.1.-
Other DBs
CAS: 579-07-7
PubChem: 96023675
ChEBI: 63552
NIKKAJI: J95.015G
LinkDB
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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