KEGG   COMPOUND: C18309
Entry
C18309                      Compound                               
Name
3-Chloro-2-methyldienelactone
Formula
C7H5ClO4
Exact mass
187.9876
Mol weight
188.5652
Structure
Reaction
R09217 R09220
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
LinkDB
KCF data

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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