KEGG   COMPOUND: C18308
Entry
C18308                      Compound                               
Name
3,5-Dichloro-2-methylmuconolactone
Formula
C7H6Cl2O4
Exact mass
223.9643
Mol weight
225.02
Structure
Reaction
R09215 R09217
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
5.5.1.7
Other DBs
PubChem: 103061490
ChEBI: 81659
LinkDB
KCF data

ATOM        13
            1   C7x C    24.5427  -20.8105
            2   C2y C    24.9980  -22.1339
            3   C2y C    26.3971  -22.1097
            4   C1y C    26.8066  -20.7715
            5   O7x O    25.6605  -19.9686
            6   O6a O    23.2146  -20.4039
            7   C1c C    28.1214  -20.3192
            8   X   Cl   29.1691  -21.2303
            9   C6a C    28.3939  -18.9185
            10  C1a C    24.1999  -23.2727
            11  X   Cl   27.2342  -23.2212
            12  O6a O    29.7394  -18.4557
            13  O6a O    27.3350  -17.9977
BOND        13
            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 1
            8     7   8 1
            9     7   9 1
            10    2  10 1
            11    3  11 1
            12    9  12 2
            13    9  13 1

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