KEGG   COMPOUND: C18310
Entry
C18310                      Compound                               
Name
3-Chloro-2-methylmaleylacetate
Formula
C7H7ClO5
Exact mass
205.9982
Mol weight
206.5805
Structure
Reaction
R09220
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.45
Other DBs
PubChem: 103061492
ChEBI: 81661
LinkDB
KCF data

ATOM        13
            1   C2c C    24.7909  -20.1719
            2   C6a C    24.1605  -18.9111
            3   O6a O    24.8609  -17.7204
            4   O5a O    26.2618  -17.7204
            5   C5a C    26.9622  -18.9811
            6   C2c C    26.1917  -20.1719
            7   O6a O    22.7596  -18.9111
            8   C1a C    24.0904  -21.3626
            9   X   Cl   26.8922  -21.3626
            10  C1b C    28.3631  -18.9811
            11  C6a C    29.0635  -17.7680
            12  O6a O    30.4642  -17.7680
            13  O6a O    28.3727  -16.5717
BOND        12
            1     1   2 1
            2     2   3 2
            3     4   5 2
            4     5   6 1
            5     1   6 2
            6     2   7 1
            7     1   8 1
            8     6   9 1
            9     5  10 1
            10   10  11 1
            11   11  12 2
            12   11  13 1

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