KEGG   COMPOUND: C18284
Entry
C18284                      Compound                               

Name
Benzo[a]pyrene-cis-11,12-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.-.-         1.14.12.-
Other DBs
CAS: 64283-13-2
PubChem: 103061466
ChEBI: 81635
KCF data

ATOM        22
            1   C8y C    27.2484  -19.3339
            2   C8y C    28.4393  -18.6333
            3   C8y C    26.0574  -18.6333
            4   C8y C    27.2484  -20.7349
            5   C8y C    28.4393  -17.2323
            6   C8y C    29.7002  -19.3339
            7   C8y C    24.8665  -19.3339
            8   C1y C    26.0574  -17.2323
            9   C8x C    26.0574  -21.4355
            10  C8x C    28.4393  -21.4355
            11  C1y C    27.2484  -16.5317
            12  C8x C    29.7002  -16.5317
            13  C8x C    29.7002  -20.7349
            14  C8x C    30.8911  -18.6333
            15  C8y C    24.8665  -20.7349
            16  C8x C    23.6056  -18.6333
            17  C8x C    30.8911  -17.2323
            18  C8x C    23.6756  -21.4355
            19  C8x C    22.4147  -19.3339
            20  C8x C    22.4147  -20.7349
            21  O1a O    24.8237  -16.5267
            22  O1a O    27.2486  -15.1201
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 2
            20    8  11 1
            21    9  15 2
            22   10  13 1
            23   14  17 2
            24   19  20 1
            25    8  21 1 #Down
            26   11  22 1 #Down

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