Marvin  11150617182D          

 10  9  0  0  0  0            999 V2000
   -3.1293    0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7003    0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2714    0.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    1.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575    0.6911    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9859    1.1036    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9859    1.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148    1.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148    1.9286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  9  2  1  0  0  0  0
  2  7  1  0  0  0  0
  7  3  1  0  0  0  0
  3  5  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
M  CHG  1   6  -1
M  END
> <ID>
CHEBI:20051

> <NAME>
3-hydroxy-5-oxohexanoate

> <DEFINITION>
A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxy-5-oxohexanoic acid obtained by deprotonation of the carboxy group.

> <STAR>
3

> <SYNONYM>
3-hydroxy-5-ketohexanoate

> <IUPAC_NAME>
3-hydroxy-5-oxohexanoate

> <FORMULA>
C6H9O4

> <MASS>
145.13326

> <MONOISOTOPIC_MASS>
145.05063

> <CHARGE>
-1

> <SMILES>
CC(=O)CC(O)CC([O-])=O

> <INCHI>
InChI=1S/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h5,8H,2-3H2,1H3,(H,9,10)/p-1

> <INCHIKEY>
APWDZEIBFNZVND-UHFFFAOYSA-M

$$$$