COMPOUND: C18242
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Entry
C18242 Compound
Name
2,3,5-Trichlorodienelactone
Formula
C6HCl3O4
Exact mass
241.894
Mol weight
243.4287
Structure
Mol file
KCF file
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Reaction
R09135
R09136
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
Enzyme
3.1.1.45
5.5.1.7
Other DBs
PubChem:
103061424
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KCF data
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ATOM 13
1 O7x O 25.7903 -18.2763
2 C2y C 26.9756 -19.1131
3 C2y C 26.5572 -20.4378
4 C2y C 25.0930 -20.4378
5 C7x C 24.6746 -19.1131
6 X Cl 24.3260 -21.5535
7 O6a O 23.3499 -18.6947
8 C2c C 28.3004 -18.6947
9 C6a C 28.5793 -17.3002
10 X Cl 29.3463 -19.6011
11 O6a O 27.5334 -16.3938
12 O6a O 29.9041 -16.8818
13 X Cl 27.3760 -21.5555
BOND 13
1 4 6 1
2 5 7 2
3 1 2 1
4 2 8 2
5 3 4 2
6 8 9 1
7 4 5 1
8 8 10 1
9 5 1 1
10 9 11 1
11 2 3 1
12 9 12 2
13 3 13 1
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