KEGG   COMPOUND: C21859
Entry
C21859                      Compound                               

Name
cis-3-[2,2-Dichloro-1-(4-chlorophenyl)vinyl]-6-chlorocyclohexa-3,5-diene-1,2-diol;
cis-2,3-Dihydrodiol-DDE
Formula
C14H10Cl4O2
Exact mass
349.9435
Mol weight
352.04
Structure
Reaction
Pathway
map00621  Dioxin degradation
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.-         1.14.12.-
KCF data

ATOM        20
            1   C2y C    19.8490  -15.8209
            2   C2c C    18.6378  -15.1163
            3   C1y C    19.8490  -17.2244
            4   C2x C    21.0661  -15.1163
            5   C8y C    17.4207  -15.8209
            6   C2c C    18.6378  -13.7187
            7   C1y C    21.0661  -17.9173
            8   C2x C    22.2775  -15.8209
            9   C8x C    17.4207  -17.2185
            10  C8x C    16.2153  -15.1163
            11  X   Cl   19.8549  -13.0198
            12  X   Cl   17.4265  -13.0198
            13  C2y C    22.2775  -17.2244
            14  C8x C    16.2153  -17.9173
            15  C8x C    14.9982  -15.8209
            16  X   Cl   23.4886  -17.9173
            17  C8y C    14.9982  -17.2185
            18  X   Cl   13.7928  -17.9173
            19  O1a O    18.6639  -17.9136
            20  O1a O    21.0675  -19.3200
BOND        21
            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     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 2
            14   10  15 1
            15   13  16 1
            16   14  17 1
            17   17  18 1
            18    8  13 2
            19   15  17 2
            20    3  19 1 #Down
            21    7  20 1 #Down

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