KEGG   COMPOUND: C18304Help
Entry
C18304                      Compound                               

Name
2-Chloro-5-methyl-cis-dienelactone
Formula
C7H5ClO4
Exact mass
187.9876
Mol weight
188.5652
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.45        5.5.1.7
Other DBs
PubChem: 103061486
ChEBI: 81655
KCF data Show

ATOM        12
            1   C7x C    35.3910  -22.8726
            2   C2y C    35.7774  -24.2250
            3   C2x C    37.1830  -24.2052
            4   C2y C    37.6654  -22.9541
            5   O7x O    36.5578  -22.0871
            6   O6a O    34.0657  -22.3888
            7   C2c C    39.0078  -22.5702
            8   C6a C    40.0041  -23.5341
            9   C1a C    39.3482  -21.2100
            10  X   Cl   34.8837  -25.3670
            11  O6a O    41.3221  -23.1571
            12  O6a O    39.6656  -24.8865
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     7   9 1
            10    2  10 1
            11    8  11 1
            12    8  12 2

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