KEGG   COMPOUND: C06645
Entry
C06645                      Compound                               

Name
6-Oxo-2-hydroxy-7-(4'-chlorophenyl)-3,8,8-trichloroocta-2E,4E,7E-trienoate
Formula
C14H8Cl4O4
Exact mass
379.9177
Mol weight
382.0229
Structure
Reaction
Pathway
map00621  Dioxin degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.13.11.-       3.7.1.-
Other DBs
PubChem: 8871
ChEBI: 2226 86006
3DMET: B01014
NIKKAJI: J2.762.572J
KCF data

ATOM        22
            1   C2c C    28.8326  -14.4711
            2   C8y C    27.6211  -15.1674
            3   C5a C    30.0440  -15.1734
            4   C2c C    28.8383  -13.0723
            5   C8x C    27.6211  -16.5720
            6   C8x C    26.4156  -14.4711
            7   C2b C    30.0440  -16.5720
            8   O5a O    31.2612  -14.4711
            9   X   Cl   30.0498  -12.3700
            10  X   Cl   27.6211  -12.3700
            11  C8x C    26.4156  -17.2683
            12  C8x C    25.1982  -15.1674
            13  C2b C    31.2554  -17.2743
            14  C8y C    25.1982  -16.5720
            15  C2c C    31.2554  -18.6729
            16  X   Cl   23.9868  -17.2683
            17  C2c C    32.4669  -19.3752
            18  X   Cl   30.0440  -19.3694
            19  C6a C    32.4669  -20.7740
            20  O1a O    33.6841  -18.6729
            21  O6a O    31.2554  -21.4704
            22  O6a O    33.6783  -21.4763
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    7  13 2
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 2
            17   15  18 1
            18   17  19 1
            19   17  20 1
            20   19  21 1
            21   19  22 2
            22   12  14 2

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