KEGG   COMPOUND: C18315
Entry
C18315                      Compound                               

Name
4-Methyl-5-nitrocatechol
Formula
C7H7NO4
Exact mass
169.0375
Mol weight
169.1348
Structure
Reaction
Pathway
map00633  Nitrotoluene degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
Other DBs
CAS: 68906-21-8
PubChem: 103061497
ChEBI: 81666
ChEMBL: CHEMBL288833
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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