Marvin  08021211152D          

 12 12  0  0  0  0            999 V2000
    1.9316   -0.1444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2642   -0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5191   -1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3441   -1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5990   -0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959   -0.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.0116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4242    0.5267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5105   -0.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3726    0.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5862    1.5371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9560    0.1568    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  2  1  1  0  0  0  0
  9  2  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1  12  -1
M  END
> <ID>
CHEBI:65081

> <NAME>
2-oxo-3-(5-oxofuran-2-ylidene)propanoate

> <DEFINITION>
A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxo-3-(5-oxofuran-2-ylidene)propanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
2-oxo-3-(5-oxofuran-2-ylidene)propanoate(1-); 2-oxo-3-(5-oxofuran-2-ylidene)propanoate

> <IUPAC_NAME>
(3Z)-2-oxo-3-(5-oxofuran-2(5H)-ylidene)propanoate

> <FORMULA>
C7H3O5

> <MASS>
167.09570

> <MONOISOTOPIC_MASS>
166.99860

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)C(=O)\C=C1OC(=O)C=C/1

> <INCHI>
InChI=1S/C7H4O5/c8-5(7(10)11)3-4-1-2-6(9)12-4/h1-3H,(H,10,11)/p-1/b4-3-

> <INCHIKEY>
DDHFXYAKWRQJJH-ARJAWSKDSA-M

> <PUBMED_CITATION>
21498645

$$$$