KEGG   COMPOUND: C06646
Entry
C06646                      Compound                               
Name
2-(4'-Chlorophenyl)-3,3-dichloropropenoate
Formula
C9H5Cl3O2
Exact mass
249.9355
Mol weight
251.49
Structure
Reaction
R05363 R05474 R05480
Pathway
map00621  Dioxin degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
3.7.1.-
Other DBs
PubChem: 8872
NIKKAJI: J1.243.414F
LinkDB
KCF data

ATOM        14
            1   C8y C    28.8745  -17.3194
            2   C2c C    30.0856  -16.6232
            3   C8x C    28.8745  -18.7180
            4   C8x C    27.6690  -16.6173
            5   C6a C    31.3028  -17.3194
            6   C2c C    30.0916  -15.2188
            7   C8x C    27.6690  -19.4202
            8   C8x C    26.4520  -17.3194
            9   O6a O    32.5141  -16.6232
            10  O6a O    31.2969  -18.7238
            11  X   Cl   31.3028  -14.5224
            12  X   Cl   28.8803  -14.5166
            13  C8y C    26.4520  -18.7180
            14  X   Cl   25.2407  -19.4202
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13   13  14 1
            14    8  13 2

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