KEGG   COMPOUND: C14800
Entry
C14800                      Compound                               

Name
1-Nitronaphthalene-5,6-oxide
Formula
C10H7NO3
Exact mass
189.0426
Mol weight
189.1675
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
1.14.13.-       1.14.14.1       2.5.1.18        3.3.2.9
Other DBs
PubChem: 17395798
ChEBI: 34105
NIKKAJI: J2.789.422D
KCF data

ATOM        14
            1   C2x C    22.8217  -19.9509
            2   C1y C    22.8217  -21.3509
            3   C1y C    24.0341  -22.0509
            4   C8y C    25.2467  -21.3509
            5   C8y C    25.2467  -19.9509
            6   C2x C    24.0341  -19.2509
            7   C8x C    26.4591  -22.0509
            8   C8x C    27.6716  -21.3509
            9   C8x C    27.6716  -19.9509
            10  C8y C    26.4591  -19.2509
            11  N2b N    26.4591  -17.8508 #+
            12  O3a O    27.6737  -17.1496 #-
            13  O3a O    25.2513  -17.1535
            14  O2x O    22.8237  -22.7537
BOND        16
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   11  13 2
            15    2  14 1
            16    3  14 1

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