KEGG   COMPOUND: C02235
Entry
C02235                      Compound                               
Name
4-Nitrocatechol
Formula
C6H5NO4
Exact mass
155.0219
Mol weight
155.11
Structure
Reaction
R03023 R05265
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.29      1.14.-.-
Other DBs
CAS: 3316-09-4
PubChem: 5299
ChEBI: 16318
PDB-CCD: 4NC[PDBj]
NIKKAJI: J205.396I
LinkDB
KCF data

ATOM        11
            1   C8y C    28.3453  -17.8195
            2   C8x C    29.5106  -17.1388
            3   C8x C    27.1863  -17.1388
            4   N2b N    28.3393  -19.1564 #+
            5   C8y C    29.5106  -15.7896
            6   C8x C    27.1863  -15.7896
            7   O3a O    29.7252  -20.1438
            8   O3a O    26.8685  -20.2285 #-
            9   C8y C    28.3453  -15.1274
            10  O1a O    30.6635  -15.1211
            11  O1a O    28.3393  -13.7905
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    9  11 1
            11    6   9 2

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