KEGG   COMPOUND: C06649
Entry
C06649                      Compound                               
Name
cis-2,3-Dihydrodiol 1,1,1-trichloro-2,2-bis(4'-chlorophenyl)ethane;
cis-2,3-Dihydrodiol DDT
Formula
C14H11Cl5O2
Exact mass
385.9202
Mol weight
388.5009
Structure
Reaction
Enzyme
1.3.1.-         1.14.99.-
Other DBs
PubChem: 8875
ChEBI: 46743
NIKKAJI: J2.762.619J
LinkDB
KCF data

ATOM        21
            1   C2y C    26.1603  -16.4196
            2   C1c C    24.9485  -15.7171
            3   C1y C    26.1603  -17.8185
            4   C2x C    27.3777  -15.7171
            5   C8y C    23.7368  -16.4136
            6   C1y C    27.3777  -18.5150
            7   O1a O    24.9485  -18.5150
            8   C2x C    28.5837  -16.4196
            9   C8x C    23.7368  -17.8128
            10  C8x C    22.5251  -15.7171
            11  C2y C    28.5837  -17.8185
            12  O1a O    27.3777  -19.9200
            13  C8x C    22.5251  -18.5150
            14  C8x C    21.3134  -16.4136
            15  X   Cl   29.8012  -18.5150
            16  C8y C    21.3134  -17.8128
            17  X   Cl   20.1016  -18.5150
            18  C1d C    24.9485  -14.3171
            19  X   Cl   24.9485  -12.9171
            20  X   Cl   26.3485  -14.3171
            21  X   Cl   23.5485  -14.3171
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 1
            6     3   7 1 #Up
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1 #Up
            12    9  13 2
            13   10  14 1
            14   11  15 1
            15   13  16 1
            16   16  17 1
            17    8  11 2
            18   14  16 2
            19    2  18 1
            20   18  19 1
            21   18  20 1
            22   18  21 1

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