KEGG   COMPOUND: C18272Help
Entry
C18272                      Compound                               

Name
cis-4-(8-Hydroxypyren-7-yl)-2-oxobut-3-enoate
Formula
C20H12O4
Exact mass
316.0736
Mol weight
316.3069
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.-       4.1.3.-
Other DBs
PubChem: 103061454
ChEBI: 81623
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    28.4655  -18.6238
            2   C8y C    29.6515  -17.9261
            3   C8y C    27.2795  -17.9261
            4   C8y C    28.4655  -20.0190
            5   C8y C    29.6515  -16.5309
            6   C8y C    30.9072  -18.6238
            7   C8y C    26.0935  -18.6238
            8   C8x C    27.2795  -16.5309
            9   C8x C    27.2795  -20.7167
            10  C8x C    29.6515  -20.7167
            11  C8x C    28.4655  -15.8332
            12  C8x C    30.9072  -15.8332
            13  C8x C    30.9072  -20.0190
            14  C8x C    32.0932  -17.9261
            15  C8y C    26.0935  -20.0190
            16  C8x C    32.0932  -16.5309
            17  O1a O    25.3791  -17.0249
            18  C2b C    24.8903  -20.7073
            19  C2b C    23.7085  -20.0185
            20  C5a C    23.7141  -18.6201
            21  C6a C    22.5017  -17.9201
            22  O6a O    21.2658  -18.6340
            23  O6a O    22.5015  -16.5204
            24  O5a O    24.9399  -17.9156
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15   12  16 1
            16    8  11 2
            17    9  15 2
            18   10  13 1
            19   14  16 2
            20    7  17 1
            21   15  18 1
            22   18  19 2
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   21  23 2
            27   20  24 2

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