Marvin  06181214312D          

 14 14  0  0  0  0            999 V2000
    8.7131   -5.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4276   -6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1421   -5.7825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1421   -4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4276   -4.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7132   -4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9988   -6.1950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564   -4.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5710   -4.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5710   -5.7825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2853   -4.5451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2853   -3.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9998   -4.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8564   -3.7201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  8 14  1  4  0  0  0
M  END
> <ID>
CHEBI:64942

> <NAME>
3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a 4-hydroxycyclohex-2-en-1-ylidene group

> <STAR>
3

> <IUPAC_NAME>
3-(4-hydroxycyclohex-2-en-1-ylidene)-2-oxopropanoic acid

> <FORMULA>
C9H10O4

> <MASS>
182.17330

> <MONOISOTOPIC_MASS>
182.05791

> <CHARGE>
0

> <SMILES>
[H]C(C(=O)C(O)=O)=C1CCC(O)C=C1

> <INCHI>
InChI=1S/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1,3,5,7,10H,2,4H2,(H,12,13)

> <INCHIKEY>
MPMDLNLJFJLITQ-UHFFFAOYSA-N

$$$$