KEGG   COMPOUND: C12834Help
Entry
C12834                      Compound                               

Name
2,5-Dichloro-carboxymethylenebut-2-en-4-olide
Formula
C6H2Cl2O4
Exact mass
207.933
Mol weight
208.9837
Structure
Mol fileKCF fileDB search
Reaction
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 All DBs
KCF data Show

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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