10  9  0  0  0  0  0  0  0  0999 V2000
   22.1652  -16.1533    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   21.0019  -16.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3285  -16.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1652  -14.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5760  -14.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8325  -16.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0143  -18.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3223  -18.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4218  -16.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9958  -14.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  0     0  0
  2  6  1  0     0  0
  2  7  2  0     0  0
  3  8  1  0     0  0
  3  9  2  0     0  0
  4 10  1  0     0  0
M  END
> <ID>
CHEBI:982

> <NAME>
2-Aceto-2-hydroxybutanoate

> <STAR>
2

> <SYNONYM>
2-Aceto-2-hydroxybutanoate

> <FORMULA>
C6H10O4

> <MASS>
146.141

> <MONOISOTOPIC_MASS>
146.05791

> <CHARGE>
0

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

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

> <INCHIKEY>
VUQLHQFKACOHNZ-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C00659

$$$$