KEGG   COMPOUND: C07089
Entry
C07089                      Compound                               

Name
5-Chloro-2-hydroxymuconic semialdehyde
Formula
C6H5ClO4
Exact mass
175.9876
Mol weight
176.5545
Structure
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.13.11.2       1.97.1.-
Other DBs
PubChem: 9300
3DMET: B01061
NIKKAJI: J892.026E
KCF data

ATOM        11
            1   C2b C    28.8281  -16.2449
            2   C2b C    28.8281  -17.6408
            3   C2c C    30.0430  -15.5439
            4   C2c C    27.6131  -18.3418
            5   C6a C    31.2580  -16.2506
            6   O1a O    30.0430  -14.1478
            7   C4a C    26.3982  -17.6467
            8   X   Cl   27.5490  -19.7377
            9   O6a O    31.2580  -17.6467
            10  O6a O    32.4729  -15.5497
            11  O4a O    25.1831  -18.3477
BOND        10
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    7  11 2

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