KEGG   COMPOUND: C07089
Entry
C07089                      Compound                               
Name
5-Chloro-2-hydroxymuconic semialdehyde
Formula
C6H5ClO4
Exact mass
175.9876
Mol weight
176.5545
Structure
Reaction
R05406 R05504
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
LinkDB
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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