COMPOUND: C06650
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Entry
C06650 Compound
Name
2,3-Dihydroxy-1,1,1-trichloro-2,2-bis(4'-chlorophenyl)ethane;
2,3-Dihydroxy-DDT
Formula
C14H9Cl5O2
Exact mass
383.9045
Mol weight
386.4851
Structure
Mol file
KCF file
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Reaction
R05257
R05395
R05396
Enzyme
1.3.1.- 1.13.11.-
Other DBs
PubChem:
8876
ChEBI:
46745
NIKKAJI:
J2.762.621A
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KCF data
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ATOM 21
1 C8y C 26.1560 -16.4152
2 C1c C 24.9493 -15.7157
3 C8y C 26.1560 -17.8143
4 C8x C 27.3743 -15.7157
5 C8y C 23.7368 -16.4095
6 C8y C 27.3743 -18.5196
7 O1a O 24.9493 -18.5196
8 C8x C 28.5810 -16.4152
9 C8x C 23.7368 -17.8143
10 C8x C 22.5301 -15.7157
11 C8y C 28.5810 -17.8143
12 O1a O 27.3801 -19.9246
13 C8x C 22.5301 -18.5196
14 C8x C 21.3118 -16.4095
15 X Cl 29.7935 -18.5196
16 C8y C 21.3118 -17.8143
17 X Cl 20.1051 -18.5196
18 C1d C 24.9493 -14.3157
19 X Cl 24.9493 -12.9157
20 X Cl 26.3493 -14.3157
21 X Cl 23.5493 -14.3157
BOND 22
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 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 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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