COMPOUND: C06597
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Entry
C06597 Compound
Name
1,3,4,6-Tetrachloro-1,4-cyclohexadiene
Formula
C6H4Cl4
Exact mass
215.9067
Mol weight
217.90
Structure
Mol file
KCF file
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Reaction
R05369
R05387
R05483
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
3.8.1.5
4.5.1.-
Other DBs
PubChem:
8823
ChEBI:
18904
513
NIKKAJI:
J1.263.661J
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KCF data
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ATOM 10
1 C1y C 27.6465 -17.6736
2 C2y C 27.6816 -16.2704
3 C2x C 28.8749 -18.3430
4 X Cl 26.2431 -18.4071
5 C2x C 28.7993 -15.5428
6 X Cl 26.3832 -15.6010
7 C2y C 30.0041 -17.6096
8 C1y C 30.0335 -16.2064
9 X Cl 31.3026 -18.2733
10 X Cl 31.2269 -15.4788
BOND 10
1 1 2 1
2 1 3 1
3 1 4 1 #Up
4 2 5 2
5 2 6 1
6 3 7 2
7 5 8 1
8 7 9 1
9 8 10 1 #Up
10 7 8 1
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