KEGG   COMPOUND: C18279
Entry
C18279                      Compound                               

Name
4,5-Dihydroxybenzo[a]pyrene;
Benzo[a]pyrene-4,5-diol
Formula
C20H12O2
Exact mass
284.0837
Mol weight
284.3081
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.-.-         1.13.11.-
Other DBs
CAS: 57304-00-4
PubChem: 103061461
ChEBI: 81630
ChEMBL: CHEMBL1908013
KCF data

ATOM        22
            1   C8y C    27.2089  -18.6555
            2   C8y C    28.4011  -17.9541
            3   C8y C    26.0165  -17.9541
            4   C8y C    27.2089  -20.0581
            5   C8y C    28.4011  -16.5516
            6   C8y C    29.6634  -18.6555
            7   C8y C    24.8242  -18.6555
            8   C8x C    26.0165  -16.5516
            9   C8x C    26.0165  -20.7594
            10  C8y C    28.4011  -20.7594
            11  C8x C    27.2089  -15.8502
            12  C8x C    29.6634  -15.8502
            13  C8y C    29.6634  -20.0581
            14  C8x C    30.8556  -17.9541
            15  C8y C    24.8242  -20.0581
            16  C8x C    23.5619  -17.9541
            17  C8x C    30.8556  -16.5516
            18  C8x C    23.6320  -20.7594
            19  C8x C    22.3697  -18.6555
            20  C8x C    22.3697  -20.0581
            21  O1a O    28.3838  -22.1455
            22  O1a O    30.8498  -20.7561
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   10  21 1
            26   13  22 1

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Drug (1)   
   CHEMBL (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
All databases (7)   

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