KEGG   COMPOUND: C00548
Entry
C00548                      Compound                               
Name
Phenyl acetate;
Acetylphenol;
Acetic acid,phenyl ester
Formula
C8H8O2
Exact mass
136.0524
Mol weight
136.1479
Structure
Comment
Phenyl acetate (generic) [CPD:C15583]
Reaction
R01241
Enzyme
3.1.1.2
Other DBs
CAS: 122-79-2
PubChem: 3829
ChEBI: 8082
PDB-CCD: QY9[PDBj]
3DMET: B00128
NIKKAJI: J32.787E
LinkDB
KCF data

ATOM        10
            1   C8x C    10.5000  -24.7100
            2   C8x C    10.5000  -26.1100
            3   C8x C    11.7124  -26.8100
            4   C8x C    12.9249  -26.1100
            5   C8x C    12.9249  -24.7100
            6   C8y C    11.7124  -24.0100
            7   O7a O    11.7124  -22.6102
            8   C7a C    12.9080  -21.9198
            9   C1a C    14.0952  -22.6052
            10  O6a O    12.9082  -20.5103
BOND        10
            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     6   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2

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