CDK     1028232200

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.6578   -2.1582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3222   -1.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5152   -1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1827   -0.0770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9021   -1.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3542    0.7301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  5  3  1  0  0  0  0 
  4  6  2  0  0  0  0 
  4  7  1  0  0  0  0 
  5  8  1  6  0  0  0 
  6  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
  5  6  1  0  0  0  0 
M  END
> <ID>
CHEBI:197616

> <NAME>
(4S)-2,4-dimethyl-5-oxo-2,5-dihydrofuran-3-carboxylic acid

> <STAR>
2

> <IUPAC_NAME>
(2S)-2,4-dimethyl-5-oxo-2H-uran-3-carboxylic acid

> <FORMULA>
C7H8O4

> <MASS>
156.137

> <MONOISOTOPIC_MASS>
156.04226

> <CHARGE>
0

> <SMILES>
O=C1O[C@@H](C)C(=C1C)C(=O)O

> <INCHI>
InChI=1S/C7H8O4/c1-3-5(6(8)9)4(2)11-7(3)10/h4H,1-2H3,(H,8,9)/t4-/m0/s1

> <INCHIKEY>
MXIUVOVXWKGXDD-BYPYZUCNSA-N

$$$$