KEGG   COMPOUND: C18315
Entry
C18315                      Compound                               
Name
4-Methyl-5-nitrocatechol
Formula
C7H7NO4
Exact mass
169.0375
Mol weight
169.1348
Structure
Reaction
R09233 R09234 R11150
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.14.12.24      1.14.13.210
Other DBs
CAS: 68906-21-8
PubChem: 103061497
ChEBI: 81666
LinkDB
KCF data

ATOM        12
            1   C8x C    23.1000  -15.1900
            2   C8y C    23.1000  -16.5900
            3   C8y C    24.3124  -17.2900
            4   C8x C    25.5249  -16.5900
            5   C8y C    25.5249  -15.1900
            6   C8y C    24.3124  -14.4900
            7   C1a C    24.3124  -13.0902
            8   N2b N    26.7560  -14.4790 #+
            9   O1a O    21.8876  -17.2900
            10  O1a O    24.3124  -18.6898
            11  O3a O    27.9612  -15.1747
            12  O3a O    26.7557  -13.0901 #-
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     5   8 1
            9     2   9 1
            10    3  10 1
            11    8  11 2
            12    8  12 1

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