COMPOUND: C06599
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Entry
C06599 Compound
Name
2,5-Dichloro-2,5-cyclohexadiene-1,4-diol;
1,4-Dihydroxyl-2,5-dichloro-2,5-cyclohexadiene
Formula
C6H6Cl2O2
Exact mass
179.9745
Mol weight
181.01
Structure
Mol file
KCF file
DB search
Reaction
R05243
R05370
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.1.-
3.8.1.5
Other DBs
PubChem:
8825
ChEBI:
28975
NIKKAJI:
J1.263.660A
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KCF data
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ATOM 10
1 C1y C 27.6275 -17.6429
2 C2y C 27.6275 -16.2371
3 C2x C 28.8400 -18.3399
4 O1a O 26.4150 -18.3399
5 C2x C 28.8400 -15.5401
6 X Cl 26.4150 -15.5401
7 C2y C 30.0525 -17.6429
8 C1y C 30.0525 -16.2371
9 X Cl 31.2650 -18.3399
10 O1a O 31.2650 -15.5401
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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