KEGG   COMPOUND: C04431
Entry
C04431                      Compound                               

Name
cis-4-Carboxymethylenebut-2-en-4-olide;
4-Carboxymethylenebut-2-en-4-olide
Formula
C6H4O4
Exact mass
140.011
Mol weight
140.0936
Structure
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.45        5.5.1.7
Other DBs
CAS: 73237-79-3
PubChem: 7062
ChEBI: 18371
3DMET: B00711
NIKKAJI: J316.362H
KCF data

ATOM        10
            1   C2y C    26.8836  -22.0690
            2   O7x O    28.0093  -21.2522
            3   C2x C    27.3081  -23.4070
            4   C2b C    25.5520  -21.6318
            5   C7x C    29.1477  -22.0690
            6   C2x C    28.7103  -23.4070
            7   O6a O    30.4728  -21.6318
            8   C6a C    24.3396  -22.3318
            9   O6a O    24.3396  -23.7318
            10  O6a O    23.1272  -21.6318
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     5   7 2
            7     5   6 1
            8     4   8 1
            9     8   9 2
            10    8  10 1

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