2-[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetate
  CDK    2/12/10,15:28

 10 10  0  0  0  0  0  0  0  0999 V2000
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9840    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4991    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7540    1.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0 
  2  1  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  2  4  1  1  0  0  0 
  4  3  1  0  0  0  0 
  3  5  2  0  0  0  0 
  6  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
M  CHG  1   7  -1
M  END
> <ID>
CHEBI:58736

> <NAME>
(S)-5-oxo-2,5-dihydro-2-furylacetate

> <DEFINITION>
Conjugate base of (S)-5-oxo-2,5-dihydro-2-furylacetic acid.

> <STAR>
3

> <SYNONYM>
(S)-muconolactone

> <IUPAC_NAME>
[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetate

> <FORMULA>
C6H5O4

> <MASS>
141.10150

> <MONOISOTOPIC_MASS>
141.01933

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)C[C@@H]1OC(=O)C=C1

> <INCHI>
InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1/t4-/m1/s1

> <INCHIKEY>
HPEKPJGPWNSAAV-SCSAIBSYSA-M

$$$$