KEGG   COMPOUND: C18275
Entry
C18275                      Compound                               

Name
Benzo[a]pyrene-cis-7,8-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
1.14.12.-
Other DBs
PubChem: 103061457
ChEBI: 81626
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   C8x C    26.0574  -17.2323
            9   C8x C    26.0574  -21.4355
            10  C8x C    28.4393  -21.4355
            11  C8x 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  C2x C    23.6056  -18.6333
            17  C8x C    30.8911  -17.2323
            18  C1y C    23.6756  -21.4355
            19  C2x C    22.4147  -19.3339
            20  C1y C    22.4147  -20.7349
            21  O1a O    21.2038  -21.4474
            22  O1a O    23.6925  -22.8196
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 2
            19   18  20 1
            20    8  11 2
            21    9  15 1
            22   10  13 2
            23   14  17 2
            24   19  20 1
            25   20  21 1 #Up
            26   18  22 1 #Up

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