KEGG   COMPOUND: C21859Help
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
Mol fileKCF fileDB search
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 Show

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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