ChEBI
  Marvin  04220817242D          

  9  8  0  0  1  0            999 V2000
    7.5626   -3.4814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8511   -3.8939    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1395   -3.4814    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4176   -3.8939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5626   -2.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -3.8939    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.8511   -4.7189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1395   -2.6564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4176   -3.0689    0.0000 C   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  6  0  0  0
  4  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  3  1  0  0  0  0
M  CHG  1   6  -1
M  END
> <ID>
CHEBI:49072

> <NAME>
(R)-2,3-dihydroxy-3-methylbutanoate

> <STAR>
3

> <SYNONYM>
(R)-2,3-Dihydroxy-isovalerate; (2R)-2,3-dihydroxy-3-methylbutanoate

> <IUPAC_NAME>
(2R)-2,3-dihydroxy-3-methylbutanoate

> <FORMULA>
C5H9O4

> <MASS>
133.12256

> <MONOISOTOPIC_MASS>
133.05063

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/p-1/t3-/m0/s1

> <INCHIKEY>
JTEYKUFKXGDTEU-VKHMYHEASA-M

> <KEGG_COMPOUND_ACCESSION>
C04272

$$$$