KEGG   COMPOUND: C04706Help
Entry
C04706                      Compound                               

Name
cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide;
cis-2-Chlorodienelactone;
cis-4-Carboxymethylene-2-chlorobut-2-en-4-olide
Formula
C6H3ClO4
Exact mass
173.972
Mol weight
174.5386
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.45        5.2.1.10
Other DBs
CAS: 115793-61-8
PubChem: 7279
ChEBI: 16211
3DMET: B00743
NIKKAJI: J2.368.889A
KCF data Show

ATOM        11
            1   C2y C    23.1499  -19.0836
            2   C7x C    22.7289  -17.7507
            3   C2x C    24.5530  -19.0836
            4   X   Cl   22.3080  -20.2763
            5   O7x O    23.8514  -16.9789
            6   O6a O    21.3960  -17.3297
            7   C2y C    24.9739  -17.7507
            8   C2b C    26.2024  -17.0800
            9   C6a C    27.4149  -17.7800
            10  O6a O    28.6273  -17.0800
            11  O6a O    27.4149  -19.1798
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    9  11 2

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