KEGG   COMPOUND: C18271
Entry
C18271                      Compound                               
Name
cis-4-(7-Hydroxtpyren-8-yl)-2-oxobut-3-enoate
Formula
C20H12O4
Exact mass
316.0736
Mol weight
316.3069
Structure
Reaction
R09182 R09202
Pathway
map00624  Polycyclic aromatic hydrocarbon degradation
map01120  Microbial metabolism in diverse environments
Other DBs
PubChem: 103061453
ChEBI: 81622
LinkDB
KCF data

ATOM        24
            1   C8y C    27.2484  -19.3339
            2   C8y C    28.4393  -18.6333
            3   C8y C    26.0574  -18.6333
            4   C8y C    27.2484  -20.7349
            5   C8y C    28.4393  -17.2323
            6   C8y C    29.7002  -19.3339
            7   C8y C    24.8665  -19.3339
            8   C8x C    26.0574  -17.2323
            9   C8x C    26.0574  -21.4355
            10  C8x C    28.4393  -21.4355
            11  C8x C    27.2484  -16.5317
            12  C8x C    29.7002  -16.5317
            13  C8x C    29.7002  -20.7349
            14  C8x C    30.8911  -18.6333
            15  C8y C    24.8665  -20.7349
            16  C2b C    23.6056  -18.6333
            17  C8x C    30.8911  -17.2323
            18  C2b C    22.4147  -19.3339
            19  C5a C    22.4147  -20.7349
            20  C6a C    21.1979  -21.4375
            21  O6a O    19.9871  -20.7385
            22  O6a O    21.1981  -22.8199
            23  O5a O    23.6097  -21.4247
            24  O1a O    24.3765  -22.2749
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    7  16 1
            16   12  17 1
            17   16  18 2
            18    8  11 2
            19    9  15 2
            20   10  13 1
            21   14  17 2
            22   18  19 1
            23   19  20 1
            24   20  21 2
            25   20  22 1
            26   19  23 2
            27   15  24 1

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