(2S)-2-hydroxy-2-methyl-3-oxobutanoate
  CDK    2/12/10,15:28

  9  8  0  0  0  0  0  0  0  0999 V2000
    5.0138   -3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254   -3.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4370   -3.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1589   -3.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138   -4.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3022   -3.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1412   -2.4475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2541   -2.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4370   -4.4546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  6  1  1  0  0  0  0 
  5  1  2  0  0  0  0 
  3  2  1  0  0  0  0 
  2  7  1  1  0  0  0 
  2  8  1  6  0  0  0 
  4  3  1  0  0  0  0 
  9  3  2  0  0  0  0 
M  CHG  1   6  -1
M  END
> <ID>
CHEBI:58476

> <NAME>
(2S)-2-hydroxy-2-methyl-3-oxobutanoate

> <DEFINITION>
conjugate base of (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid.

> <STAR>
3

> <SYNONYM>
(2S)-2-acetolactate

> <IUPAC_NAME>
(2S)-2-hydroxy-2-methyl-3-oxobutanoate

> <FORMULA>
C5H7O4

> <MASS>
131.10670

> <MONOISOTOPIC_MASS>
131.03498

> <CHARGE>
-1

> <SMILES>
CC(=O)[C@](C)(O)C([O-])=O

> <INCHI>
InChI=1S/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)/p-1/t5-/m0/s1

> <INCHIKEY>
NMDWGEGFJUBKLB-YFKPBYRVSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3604088

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