KEGG   COMPOUND: C18250
Entry
C18250                      Compound                               

Name
4,5-Dihydroxypyrene
Formula
C16H10O2
Exact mass
234.0681
Mol weight
234.2494
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.29        1.6.5.-         1.13.11.-
Other DBs
PubChem: 103061432
ChEBI: 81601
KCF data

ATOM        18
            1   C8x C    23.6037  -18.6312
            2   C8x C    23.6037  -20.0320
            3   C8x C    24.8168  -20.7324
            4   C8y C    26.0300  -20.0320
            5   C8y C    26.0300  -18.6312
            6   C8y C    24.8168  -17.9308
            7   C8y C    27.2431  -17.9308
            8   C8y C    27.2431  -16.5300
            9   C8x C    26.0300  -15.8296
            10  C8x C    24.8168  -16.5300
            11  C8y C    27.2431  -20.7324
            12  C8y C    28.4562  -20.0320
            13  C8y C    28.4562  -18.6312
            14  C8x C    29.6694  -17.9308
            15  C8x C    29.6694  -16.5300
            16  C8x C    28.4562  -15.8296
            17  O1a O    27.2431  -22.1333
            18  O1a O    29.6545  -20.7239
BOND        21
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    6  10 2
            12    4  11 1
            13   11  12 2
            14   12  13 1
            15    7  13 1
            16   13  14 2
            17   14  15 1
            18   15  16 2
            19    8  16 1
            20   11  17 1
            21   12  18 1

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