2-(2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate
  CDK    2/12/10,15:27

 11 11  0  0  0  0  0  0  0  0999 V2000
    7.6099   -5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2793   -5.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8687   -6.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8231   -5.4918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0268   -6.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9488   -5.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6934   -6.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6506   -4.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7355   -5.4918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648   -4.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8674   -4.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  2  0  0  0  0 
  4  8  1  0  0  0  0 
  6  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
  8 11  2  0  0  0  0 
  6  7  1  0  0  0  0 
M  CHG  1  10  -1
M  END
> <ID>
CHEBI:57888

> <NAME>
4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1-)

> <DEFINITION>
The conjugate base of 4-carboxymethyl-4-methylbut-2-en-1,4-olide; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
4-methylmuconolactone; 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide anion; 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide; 2-(2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate

> <IUPAC_NAME>
(2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate

> <FORMULA>
C7H7O4

> <MASS>
155.12810

> <MONOISOTOPIC_MASS>
155.03498

> <CHARGE>
-1

> <SMILES>
CC1(CC([O-])=O)OC(=O)C=C1

> <INCHI>
InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/p-1

> <INCHIKEY>
FIKLRROSHXQNFN-UHFFFAOYSA-M

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