Marvin  08021211192D          

 12 12  0  0  0  0            999 V2000
   12.2068   -4.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5394   -5.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7943   -6.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6193   -6.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8742   -5.4523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6711   -5.2388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3669   -3.8114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6994   -4.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7857   -5.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9026   -4.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6891   -3.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3193   -4.6662    0.0000 O   0  0  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  END
> <ID>
CHEBI:65114

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

> <DEFINITION>
A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a 5-oxofuran-2-ylidene group.

> <STAR>
3

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

> <FORMULA>
C7H4O5

> <MASS>
168.10370

> <MONOISOTOPIC_MASS>
168.00587

> <CHARGE>
0

> <SMILES>
OC(=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)/b4-3-

> <INCHIKEY>
DDHFXYAKWRQJJH-ARJAWSKDSA-N

$$$$