6-methyl-2-oxo-2H-pyran-4-olate
  CDK    2/12/10,15:27

  9  9  0  0  0  0  0  0  0  0999 V2000
   13.8594  -11.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1541  -12.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5759  -12.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8594  -11.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1541  -13.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5759  -13.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8594  -13.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4450  -13.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2849  -13.4957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  2  0  0  0  0 
  6  7  1  0  0  0  0 
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:57778

> <NAME>
triacetate lactone oxoanion

> <DEFINITION>
Conjugate base of triacetate lactone arising from deprotonation of the 4-hydroxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
triacetate lactone(1-)

> <IUPAC_NAME>
6-methyl-2-oxo-2H-pyran-4-olate

> <FORMULA>
C6H5O3

> <MASS>
125.10210

> <MONOISOTOPIC_MASS>
125.02442

> <CHARGE>
-1

> <SMILES>
Cc1cc([O-])cc(=O)o1

> <INCHI>
InChI=1S/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3/p-1

> <INCHIKEY>
NSYSSMYQPLSPOD-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
5254089

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