KEGG   COMPOUND: C18276
Entry
C18276                      Compound                               

Name
Benzo[a]pyrene-cis-9,10-dihydrodiol
Formula
C20H14O2
Exact mass
286.0994
Mol weight
286.324
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.29        1.14.12.12
Other DBs
CAS: 56484-47-0
PubChem: 103061458
ChEBI: 81627
KCF data

ATOM        22
            1   C8y C    27.7900  -19.3200
            2   C8y C    28.9800  -18.6200
            3   C8y C    26.6000  -18.6200
            4   C8y C    27.7900  -20.7200
            5   C8y C    28.9800  -17.2200
            6   C8y C    30.2400  -19.3200
            7   C8y C    25.4100  -19.3200
            8   C8x C    26.6000  -17.2200
            9   C8x C    26.6000  -21.4200
            10  C8x C    28.9800  -21.4200
            11  C8x C    27.7900  -16.5200
            12  C8x C    30.2400  -16.5200
            13  C8x C    30.2400  -20.7200
            14  C8x C    31.4300  -18.6200
            15  C8y C    25.4100  -20.7200
            16  C1y C    24.1500  -18.6200
            17  C8x C    31.4300  -17.2200
            18  C2x C    24.2200  -21.4200
            19  C1y C    22.9600  -19.3200
            20  C2x C    22.9600  -20.7200
            21  O1a O    21.7700  -18.6200
            22  O1a O    24.1500  -17.2200
BOND        26
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 1
            13    6  14 1
            14    7  15 2
            15    7  16 1
            16   12  17 1
            17   15  18 1
            18   16  19 1
            19   18  20 2
            20    8  11 2
            21    9  15 1
            22   10  13 2
            23   14  17 2
            24   19  20 1
            25   19  21 1 #Up
            26   16  22 1 #Up

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