KEGG   COMPOUND: C18277
Entry
C18277                      Compound                               

Name
4,5-Chrysenedicarboxylate
Formula
C20H12O4
Exact mass
316.0736
Mol weight
316.3069
Structure
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.-       4.1.1.-
Other DBs
PubChem: 103061459
ChEBI: 81628
KCF data

ATOM        24
            1   C8y C    27.8244  -19.3439
            2   C8y C    29.0159  -18.6431
            3   C8y C    26.6330  -18.6431
            4   C8y C    27.8244  -20.7457
            5   C8y C    29.0159  -17.2413
            6   C8y C    30.2775  -19.3439
            7   C8y C    25.4415  -19.3439
            8   C8x C    26.6330  -17.2413
            9   C8x C    26.6330  -21.4465
            10  C8x C    27.8244  -16.5405
            11  C8x C    30.2775  -16.5405
            12  C8x C    31.4690  -18.6431
            13  C8y C    25.4415  -20.7457
            14  C8x C    24.1799  -18.6431
            15  C8x C    31.4690  -17.2413
            16  C8x C    24.2500  -21.4465
            17  C8x C    22.9885  -19.3439
            18  C8x C    22.9885  -20.7457
            19  C6a C    30.2950  -20.7199
            20  O6a O    31.6473  -21.0823
            21  C6a C    28.3144  -22.0057
            22  O6a O    27.3680  -22.8543
            23  O6a O    29.7701  -22.6141
            24  O6a O    29.1991  -21.5720
BOND        27
            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     5  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 2
            13    7  14 1
            14   11  15 1
            15   13  16 1
            16   14  17 2
            17   16  18 2
            18    8  10 2
            19    9  13 1
            20   12  15 2
            21   17  18 1
            22    6  19 1
            23   19  20 1
            24    4  21 1
            25   21  22 2
            26   21  23 1
            27   19  24 2

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