KEGG   COMPOUND: C18251Help
Entry
C18251                      Compound                               

Name
Pyrene-4,5-dione;
4,5-Pyrenequinone
Formula
C16H8O2
Exact mass
232.0524
Mol weight
232.2335
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.6.5.-         1.6.-.-
Other DBs
CAS: 6217-22-7
PubChem: 103061433
ChEBI: 81602
ChEMBL: CHEMBL2407183
KCF data Show

ATOM        18
            1   C8x C    23.6038  -18.6312
            2   C8x C    23.6038  -20.0321
            3   C8x C    24.8169  -20.7325
            4   C8y C    26.0301  -20.0321
            5   C8y C    26.0301  -18.6312
            6   C8y C    24.8169  -17.9308
            7   C8y C    27.2432  -17.9308
            8   C8y C    27.2432  -16.5300
            9   C8x C    26.0301  -15.8296
            10  C8x C    24.8169  -16.5300
            11  C5x C    27.2432  -20.7325
            12  C5x C    28.4563  -20.0321
            13  C8y C    28.4563  -18.6312
            14  C8x C    29.6695  -17.9308
            15  C8x C    29.6695  -16.5300
            16  C8x C    28.4563  -15.8296
            17  O5x O    27.2432  -22.1334
            18  O5x O    29.6546  -20.7240
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 1
            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 2
            21   12  18 2

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