KEGG   COMPOUND: C09814
Entry
C09814                      Compound                               
Name
Benzonitrile;
Phenyl cyanide;
Cyanobenzene
Formula
C7H5N
Exact mass
103.0422
Mol weight
103.1213
Structure
Reaction
R05591 R05596 R07838
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.5.5.1         4.2.1.84
Other DBs
CAS: 100-47-0
PubChem: 12002
ChEBI: 27991
3DMET: B01115
NIKKAJI: J3.590D
LinkDB
KCF data

ATOM        8
            1   C8y C    28.8277  -16.6052
            2   C8x C    27.6158  -17.3078
            3   C8x C    30.0397  -17.3078
            4   C3b C    28.8336  -15.2058
            5   C8x C    27.6158  -18.7073
            6   C8x C    30.0397  -18.7073
            7   N3a N    30.0457  -14.5090
            8   C8x C    28.8277  -19.4099
BOND        8
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 3
            7     5   8 1
            8     6   8 2

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