KEGG   COMPOUND: C12831
Entry
C12831                      Compound                               
Name
3,4,6-Trichlorocatechol
Formula
C6H3Cl3O2
Exact mass
211.9199
Mol weight
213.4458
Structure
Reaction
R06832 R06833
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01220  Degradation of aromatic compounds
Enzyme
1.3.1.119       1.13.11.-
Other DBs
CAS: 32139-72-3
PubChem: 583220
ChEBI: 32971
NIKKAJI: J569.887A
LinkDB
KCF data

ATOM        11
            1   C8y C    27.6461  -16.2297
            2   C8y C    27.6461  -17.6299
            3   C8y C    28.8617  -18.3300
            4   C8x C    30.0701  -17.6299
            5   C8y C    30.0701  -16.2297
            6   C8y C    28.8617  -15.5296
            7   X   Cl   28.8634  -14.1294
            8   X   Cl   31.2832  -15.5306
            9   X   Cl   28.8634  -19.7302
            10  O1a O    26.4338  -18.3306
            11  O1a O    26.4338  -15.5291
BOND        11
            1     5   6 2
            2     6   1 1
            3     6   7 1
            4     1   2 2
            5     5   8 1
            6     2   3 1
            7     3   9 1
            8     3   4 2
            9     2  10 1
            10    4   5 1
            11    1  11 1

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