KEGG   COMPOUND: C18258Help
Entry
C18258                      Compound                               

Name
Pyrene-1,8-dione;
1,8-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
Other DBs
CAS: 2304-85-0
PubChem: 103061440
ChEBI: 81609
LinkDB All DBs
KCF data Show

ATOM        18
            1   C5x C    23.5902  -19.3202
            2   C2x C    23.5902  -20.7202
            3   C2x C    24.8027  -21.4202
            4   C8y C    26.0152  -20.7202
            5   C8y C    26.0152  -19.3202
            6   C8y C    24.8027  -18.6202
            7   C8y C    27.2276  -18.6202
            8   C8y C    27.2276  -17.2202
            9   C8x C    26.0152  -16.5202
            10  C8x C    24.8027  -17.2202
            11  C8x C    27.2276  -21.4202
            12  C8x C    28.4400  -20.7202
            13  C8y C    28.4400  -19.3202
            14  C2x C    29.6525  -18.6202
            15  C2x C    29.6525  -17.2202
            16  C5x C    28.4400  -16.5202
            17  O5x O    28.4399  -15.1202
            18  O5x O    22.3775  -18.6200
BOND        21
            1     1   2 1
            2     2   3 2
            3     3   4 1
            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 2
            13   11  12 1
            14   12  13 2
            15    7  13 1
            16   13  14 1
            17   14  15 2
            18   15  16 1
            19    8  16 1
            20   16  17 2
            21    1  18 2

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