KEGG   COMPOUND: C18309Help
Entry
C18309                      Compound                               

Name
3-Chloro-2-methyldienelactone
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: 103061491
ChEBI: 81660
KCF data Show

ATOM        12
            1   C7x C    24.5679  -20.7463
            2   C2y C    25.0028  -22.0783
            3   C2y C    26.4040  -22.0763
            4   C2y C    26.8352  -20.7431
            5   O7x O    25.7004  -19.9211
            6   O6a O    23.2453  -20.3185
            7   C1a C    24.1870  -23.2044
            8   X   Cl   27.2245  -23.2022
            9   C2b C    28.1605  -20.3104
            10  C6a C    28.4488  -18.9441
            11  O6a O    29.7784  -18.5098
            12  O6a O    27.3838  -17.9884
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     2   7 1
            8     3   8 1
            9     4   9 2
            10    9  10 1
            11   10  11 2
            12   10  12 1

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