COMPOUND: C12837
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Entry
C12837 Compound
Name
3-Chloro-cis-1,2-dihydroxycyclohexa-3,5-diene;
(1R,2R)-3-Chlorocyclohexa-3,5-diene-1,2-diol
Formula
C6H7ClO2
Exact mass
146.0135
Mol weight
146.57
Structure
Mol file
KCF file
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Reaction
R06856
R06857
Pathway
map00361
Chlorocyclohexane and chlorobenzene degradation
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.3.1.119
1.14.12.26
Other DBs
PubChem:
583226
ChEBI:
19981
NIKKAJI:
J593.973I
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KCF data
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ATOM 9
1 C2x C 30.6520 -16.9618
2 C2y C 29.4371 -16.2616
3 C2x C 30.6520 -18.3632
4 C1y C 28.2293 -16.9618
5 X Cl 29.4500 -14.8601
6 C2x C 29.4371 -19.0705
7 C1y C 28.2293 -18.3632
8 O1a O 27.0198 -16.2648
9 O1a O 27.0183 -19.0575
BOND 9
1 1 3 1
2 2 4 1
3 2 5 1
4 3 6 2
5 4 7 1
6 6 7 1
7 4 8 1 #Up
8 1 2 2
9 7 9 1 #Up
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