KEGG   COMPOUND: C18278Help
Entry
C18278                      Compound                               

Name
9,10-Dihydroxybenzo[a]pyrene;
Benzo[a]pyrene-9,10-diol
Formula
C20H12O2
Exact mass
284.0837
Mol weight
284.3081
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.29        1.13.11.-
Other DBs
CAS: 57303-98-7
PubChem: 103061460
ChEBI: 81629
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    27.8244  -19.3439
            2   C8y C    29.0159  -18.6431
            3   C8y C    26.6330  -18.6431
            4   C8y C    27.8244  -20.7457
            5   C8y C    29.0159  -17.2413
            6   C8y C    30.2775  -19.3439
            7   C8y C    25.4415  -19.3439
            8   C8x C    26.6330  -17.2413
            9   C8x C    26.6330  -21.4465
            10  C8x C    29.0159  -21.4465
            11  C8x C    27.8244  -16.5405
            12  C8x C    30.2775  -16.5405
            13  C8x C    30.2775  -20.7457
            14  C8x C    31.4690  -18.6431
            15  C8y C    25.4415  -20.7457
            16  C8y C    24.1799  -18.6431
            17  C8x C    31.4690  -17.2413
            18  C8x C    24.2500  -21.4465
            19  C8y C    22.9885  -19.3439
            20  C8x C    22.9885  -20.7457
            21  O1a O    21.7970  -18.6431
            22  O1a O    24.1799  -17.2413
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 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
            26   16  22 1

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