KEGG   COMPOUND: C12834
Entry
C12834                      Compound                               
Name
2,5-Dichloro-carboxymethylenebut-2-en-4-olide
Formula
C6H2Cl2O4
Exact mass
207.9330
Mol weight
208.98
Structure
Reaction
R06834 R06835
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.45        5.5.1.7
Other DBs
PubChem: 583223
ChEBI: 31075
NIKKAJI: J2.783.858H
LinkDB
KCF data

ATOM        12
            1   O7x O    28.0000  -16.2400
            2   C2y C    29.1900  -17.0800
            3   C2x C    28.7700  -18.4100
            4   C2y C    27.3000  -18.4100
            5   C7x C    26.8800  -17.0800
            6   X   Cl   26.5300  -19.5300
            7   O6a O    25.5500  -16.6600
            8   C2c C    30.5200  -16.6600
            9   C6a C    30.8000  -15.2600
            10  X   Cl   31.5700  -17.5700
            11  O6a O    29.7500  -14.3500
            12  O6a O    32.1300  -14.8400
BOND        12
            1     4   6 1
            2     5   7 2
            3     1   2 1
            4     2   8 2
            5     3   4 2
            6     8   9 1
            7     4   5 1
            8     8  10 1
            9     5   1 1
            10    9  11 1
            11    2   3 1
            12    9  12 2

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