Marvin  02111013432D          

  9  8  0  0  1  0            999 V2000
   12.6838   -4.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8272   -4.9673    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.2547   -4.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1126   -4.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1126   -3.7299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3982   -4.9673    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3982   -5.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9693   -4.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9693   -5.7924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  6  4  1  0  0  0  0
  4  2  1  0  0  0  0
  8  1  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  6  7  1  6  0  0  0
  8  9  1  0  0  0  0
M  CHG  1   2  -1
M  END
> <ID>
CHEBI:55535

> <NAME>
(R)-2-hydroxy-4-methylpentanoate

> <DEFINITION>
The anion of (R)-2-hydroxy-4-methylpentanoic acid.

> <STAR>
3

> <SYNONYM>
(R)-2-hydroxy-4-methylvalerate; (R)-2-hydroxy-4-methylpentanoate

> <IUPAC_NAME>
(2R)-2-hydroxy-4-methylpentanoate

> <FORMULA>
C6H11O3

> <MASS>
131.14970

> <MONOISOTOPIC_MASS>
131.07137

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/p-1/t5-/m1/s1

> <INCHIKEY>
LVRFTAZAXQPQHI-RXMQYKEDSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
5245806

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