KEGG   COMPOUND: C12837
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
146.5716
Structure
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
LinkDB
KCF data

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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