Marvin  12050615052D          

  7  6  0  0  0  0            999 V2000
   -1.8793    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5938   -0.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1648   -0.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1648   -0.1562    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4503    1.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4503    0.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2641   -0.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  4  1  0  0  0  0
  4  3  1  1  0  0  0
  4  6  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:37373

> <NAME>
(S)-3-hydroxyisobutyric acid

> <STAR>
3

> <SYNONYM>
(S)-3-hydroxy-2-methylpropionic acid; (S)-3-hydroxy-2-methylpropanoic acid

> <IUPAC_NAME>
(2S)-3-hydroxy-2-methylpropanoic acid

> <FORMULA>
C4H8O3

> <MASS>
104.10452

> <MONOISOTOPIC_MASS>
104.04734

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1

> <INCHIKEY>
DBXBTMSZEOQQDU-VKHMYHEASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4654447

> <KEGG_COMPOUND_ACCESSION>
C06001

$$$$