KEGG   COMPOUND: C16234
Entry
C16234                      Compound                               

Name
o-Nitrobenzoate;
2-Nitrobenzoic acid
Formula
C7H5NO4
Exact mass
167.0219
Mol weight
167.1189
Structure
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.7.1.-
Other DBs
CAS: 552-16-9
PubChem: 47205542
ChEBI: 25620
ChEMBL: CHEMBL114719
NIKKAJI: J1.613F
KCF data

ATOM        12
            1   C8x C    25.2700  -17.7100
            2   C8x C    25.2700  -19.1100
            3   C8x C    26.4824  -19.8100
            4   C8x C    27.6949  -19.1100
            5   C8y C    27.6949  -17.7100
            6   C8y C    26.4824  -17.0100
            7   C6a C    26.4824  -15.6102
            8   O6a O    25.2532  -14.9003
            9   O6a O    27.6780  -14.9198
            10  N2b N    28.9260  -16.9990 #+
            11  O3a O    30.1312  -17.6947 #-
            12  O3a O    28.9257  -15.6101
BOND        12
            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     7   9 2
            10    5  10 1
            11   10  11 1
            12   10  12 2

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