KEGG   COMPOUND: C18306
Entry
C18306                      Compound                               
Name
5-Methylmaleylacetate
Formula
C7H8O5
Exact mass
172.0372
Mol weight
172.1354
Structure
Reaction
R09223 R09224
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.3.1.32
Other DBs
PubChem: 103061488
ChEBI: 81657
LinkDB
KCF data

ATOM        12
            1   C2b C    24.6400  -21.2100
            2   C6a C    23.9400  -20.0200
            3   O6a O    24.6400  -18.7600
            4   O5a O    26.0400  -18.7600
            5   C5a C    26.7400  -20.0200
            6   C2b C    26.0400  -21.2100
            7   O6a O    22.6100  -20.0200
            8   C1c C    28.2100  -20.0200
            9   C1a C    28.9100  -21.1400
            10  C6a C    28.8400  -18.7600
            11  O6a O    30.2375  -18.7461
            12  O6a O    28.0686  -17.5917
BOND        11
            1     1   2 1
            2     2   3 1
            3     4   5 2
            4     5   6 1
            5     1   6 2
            6     2   7 2
            7     5   8 1
            8     8   9 1
            9     8  10 1
            10   10  11 2
            11   10  12 1

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