KEGG   COMPOUND: C12838
Entry
C12838                      Compound                               
Name
trans-4-Carboxymethylenebut-2-en-4-olide
Formula
C6H4O4
Exact mass
140.011
Mol weight
140.0936
Structure
Reaction
R06838 R06840
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
3.1.1.45        5.5.1.7
Other DBs
PubChem: 583227
ChEBI: 38107
NIKKAJI: J316.363F
LinkDB
KCF data

ATOM        10
            1   C2y C    28.5716  -17.6619
            2   O7x O    29.6947  -16.8483
            3   C2x C    28.9932  -18.9993
            4   C2b C    27.2403  -17.2218
            5   C7x C    30.8362  -17.6619
            6   C2x C    30.3959  -18.9993
            7   C6a C    26.9545  -15.8554
            8   O6a O    32.1618  -17.2218
            9   O6a O    28.0074  -14.9279
            10  O6a O    25.6233  -15.4208
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     7   9 1
            9     7  10 2
            10    5   6 1

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