COMPOUND: C06598
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Entry
C06598 Compound
Name
2,4,5-Trichloro-2,5-cyclohexadiene-1-ol;
1-Hydroxyl-2,4,5-trichloro-2,5-cyclohexadiene
Formula
C6H5Cl3O
Exact mass
197.9406
Mol weight
199.4623
Structure
Mol file
KCF file
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Reaction
R05369
R05370
R05484
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
3.8.1.5
Other DBs
PubChem:
8824
ChEBI:
28989
NIKKAJI:
J1.263.658J
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KCF data
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ATOM 10
1 C1y C 30.0525 -16.2371
2 C2y C 30.0525 -17.6429
3 C2x C 28.8400 -15.5401
4 O1a O 31.2650 -15.5401
5 C2x C 28.8400 -18.3399
6 X Cl 31.2650 -18.3399
7 C2y C 27.6275 -16.2371
8 C1y C 27.6275 -17.6429
9 X Cl 26.4150 -15.5401
10 X Cl 26.4150 -18.3399
BOND 10
1 1 2 1
2 1 3 1
3 1 4 1 #Either
4 2 5 2
5 2 6 1
6 3 7 2
7 5 8 1
8 7 9 1
9 8 10 1 #Either
10 7 8 1
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