KEGG   COMPOUND: C18273Help
Entry
C18273                      Compound                               

Name
7,8-Dihydropyrene-8-carboxylate;
1,2-Dihydropyrene-1-carboxylate
Formula
C17H12O2
Exact mass
248.0837
Mol weight
248.276
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Other DBs
PubChem: 103061455
ChEBI: 81624
KCF data Show

ATOM        19
            1   C8y C    27.2484  -19.3339
            2   C8y C    28.4393  -18.6333
            3   C8y C    26.0574  -18.6333
            4   C2y C    27.2484  -20.7349
            5   C8y C    28.4393  -17.2323
            6   C8y C    29.7002  -19.3339
            7   C1y C    24.8665  -19.3339
            8   C8x C    26.0574  -17.2323
            9   C2x C    26.0574  -21.4355
            10  C2x C    28.4393  -21.4355
            11  C8x C    27.2484  -16.5317
            12  C8x C    29.7002  -16.5317
            13  C2x C    29.7002  -20.7349
            14  C8x C    30.8911  -18.6333
            15  C1x C    24.8665  -20.7349
            16  C8x C    30.8911  -17.2323
            17  C6a C    23.6328  -18.6284
            18  O6a O    22.4473  -19.3195
            19  O6a O    23.6267  -17.2204
BOND        22
            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 1
            15   12  16 1
            16    8  11 2
            17    9  15 1
            18   10  13 2
            19   14  16 2
            20    7  17 1
            21   17  18 1
            22   17  19 2

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