KEGG   COMPOUND: C16395
Entry
C16395                      Compound                               
Name
2-Amino-4,6-dinitrotoluene
Formula
C7H7N3O4
Exact mass
197.0437
Mol weight
197.15
Structure
Reaction
R08033 R08043 R08044 R08045
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.7.1.-
Other DBs
CAS: 35572-78-2
PubChem: 47205693
ChEBI: 19452
NIKKAJI: J48.076B
LinkDB
KCF data

ATOM        14
            1   C8y C    28.0630  -23.7494
            2   C8x C    28.0630  -25.1478
            3   C8y C    29.2780  -25.8505
            4   C8x C    30.4855  -25.1478
            5   C8y C    30.4855  -23.7494
            6   C8y C    29.2780  -23.0538
            7   C1a C    29.2796  -21.6556
            8   N2b N    31.6981  -23.0548 #+
            9   N2b N    29.2796  -27.2487 #+
            10  O3a O    32.9094  -23.7512
            11  O3a O    31.6991  -21.6564 #-
            12  O3a O    28.0686  -27.9458
            13  O3a O    30.4925  -27.9428 #-
            14  N1a N    26.8385  -23.0390
BOND        14
            1     6   7 1
            2     1   2 2
            3     5   8 1
            4     2   3 1
            5     3   9 1
            6     3   4 2
            7     8  10 2
            8     4   5 1
            9     8  11 1
            10    5   6 2
            11    9  12 2
            12    6   1 1
            13    9  13 1
            14    1  14 1

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