COMPOUND: C06649
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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
Mol file
KCF file
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Reaction
R05260
R05395
R05396
R05492
Enzyme
1.3.1.- 1.14.99.-
Other DBs
PubChem:
8875
ChEBI:
46743
NIKKAJI:
J2.762.619J
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KCF data
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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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