KEGG   COMPOUND: C14852
Entry
C14852                      Compound                               

Name
Benzo[a]pyrene-7,8-diol;
Benzo[a]pyrene-7,8-dihydrodiol
Formula
C20H14O2
Exact mass
286.0994
Mol weight
286.324
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
map05204  Chemical carcinogenesis
Enzyme
1.14.14.1       1.14.14.-       2.5.1.18        3.3.2.9
Other DBs
CAS: 13345-25-0
PubChem: 17395850
ChEBI: 34562
NIKKAJI: J36.050C
KCF data

ATOM        22
            1   C8y C    25.8252  -19.9456
            2   C8y C    27.0150  -19.2457
            3   C8y C    24.6352  -19.2457
            4   C8y C    25.8252  -21.3454
            5   C8y C    27.0150  -17.8459
            6   C8y C    28.2747  -19.9456
            7   C8y C    23.4454  -19.9456
            8   C8x C    24.6352  -17.8459
            9   C8x C    24.6352  -22.0453
            10  C8x C    27.0150  -22.0453
            11  C8x C    25.8252  -17.1459
            12  C8x C    28.2747  -17.1459
            13  C8x C    28.2747  -21.3454
            14  C8x C    29.4646  -19.2457
            15  C8y C    23.4454  -21.3454
            16  C2x C    22.1856  -19.2457
            17  C8x C    29.4646  -17.8459
            18  C1y C    22.2556  -22.0453
            19  C2x C    20.9958  -19.9456
            20  C1y C    20.9958  -21.3454
            21  O1a O    19.7903  -22.0547
            22  O1a O    22.2728  -23.4499
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    7  16 1
            16   12  17 1
            17   15  18 1
            18   16  19 2
            19   18  20 1
            20    8  11 2
            21    9  15 2
            22   10  13 1
            23   14  17 2
            24   19  20 1
            25   20  21 1
            26   18  22 1

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