2-hydroxy-3-oxohexanedioate
  CDK    2/12/10,15:26

 12 11  0  0  0  0  0  0  0  0999 V2000
    4.0122   -3.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7326   -3.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4363   -3.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1566   -3.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8770   -3.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5974   -3.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0122   -2.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2918   -3.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5974   -4.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3178   -3.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7326   -4.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4363   -2.4303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  8  1  1  0  0  0  0 
  7  1  2  0  0  0  0 
  3  2  1  0  0  0  0 
 11  2  1  0  0  0  0 
  4  3  1  0  0  0  0 
 12  3  2  0  0  0  0 
  5  4  1  0  0  0  0 
  6  5  1  0  0  0  0 
 10  6  1  0  0  0  0 
  9  6  2  0  0  0  0 
M  CHG  1   8  -1
M  CHG  1  10  -1
M  END
> <ID>
CHEBI:57712

> <NAME>
2-hydroxy-3-oxoadipate(2-)

> <DEFINITION>
Dicarboxylate anion of 2-hydroxy-3-oxoadipic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
2-hydroxy-3-oxoadipate dianion; 2-hydroxy-3-oxoadipate

> <IUPAC_NAME>
2-hydroxy-3-oxohexanedioate

> <FORMULA>
C6H6O6

> <MASS>
174.10820

> <MONOISOTOPIC_MASS>
174.01754

> <CHARGE>
-2

> <SMILES>
OC(C([O-])=O)C(=O)CCC([O-])=O

> <INCHI>
InChI=1S/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)/p-2

> <INCHIKEY>
DVIFFQAOYQDXGL-UHFFFAOYSA-L

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