Marvin  10130915132D          

 10  9  0  0  1  0            999 V2000
    7.8352  -19.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5463  -20.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1241  -20.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2116  -18.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750  -18.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992  -19.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5463  -20.9359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4130  -19.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0103  -20.0157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2992  -18.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
> <ID>
CHEBI:28710

> <NAME>
3-hydroxy-3-methyl-2-oxopentanoic acid

> <DEFINITION>
A 3-hydroxylated derivative of 3-methyl-2-oxovaleric acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1523; CHEBI:20041

> <SYNONYM>
3-Hydroxy-3-methyl-2-oxopentanoic acid; 3-Hydroxy-3-methyl-2-oxopentanoate

> <IUPAC_NAME>
3-hydroxy-3-methyl-2-oxopentanoic acid

> <FORMULA>
C6H10O4

> <MASS>
146.14120

> <MONOISOTOPIC_MASS>
146.05791

> <CHARGE>
0

> <SMILES>
CCC(C)(O)C(=O)C(O)=O

> <INCHI>
InChI=1S/C6H10O4/c1-3-6(2,10)4(7)5(8)9/h10H,3H2,1-2H3,(H,8,9)

> <INCHIKEY>
YJVOWRAWFXRESP-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C04237

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01020278

$$$$