KEGG   COMPOUND: C04431Help
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
Mol fileKCF fileDB searchJmolKegDraw
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 Show

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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