COMPOUND: C16181
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Entry
C16181 Compound
Name
beta-2,3,4,5,6-Pentachlorocyclohexanol
Formula
C6H7Cl5O
Exact mass
269.894
Mol weight
272.3842
Structure
Mol file
KCF file
DB search
Reaction
R07669
R07670
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
3.8.1.5
Other DBs
PubChem:
47205490
ChEBI:
80364
NIKKAJI:
J2.410.475C
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KCF data
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ATOM 12
1 C1y C 29.6615 -22.5460
2 C1y C 29.6615 -23.9455
3 C1y C 30.8773 -24.6489
4 C1y C 32.0863 -23.9455
5 C1y C 32.0863 -22.5460
6 C1y C 30.8773 -21.8497
7 X Cl 28.4486 -21.8490
8 X Cl 30.8792 -26.0486
9 X Cl 33.2997 -21.8506
10 O1a O 30.8792 -20.4500
11 X Cl 28.4486 -24.6496
12 X Cl 33.2997 -24.6481
BOND 12
1 6 1 1
2 1 7 1 #Up
3 1 2 1
4 3 8 1 #Up
5 2 3 1
6 5 9 1 #Up
7 3 4 1
8 6 10 1 #Down
9 4 5 1
10 2 11 1 #Down
11 5 6 1
12 4 12 1 #Down
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