Marvin  11201216272D          

 11 10  0  0  0  0            999 V2000
   11.4938  -10.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4938  -11.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7793  -11.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0648  -11.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3504  -11.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360  -11.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9215  -11.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2070  -11.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9215  -12.3967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360  -10.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2083  -11.5717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  6 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <ID>
CHEBI:71207

> <NAME>
(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid

> <DEFINITION>
A 2-hydroxy-6-oxohexa-2,4-dienoic acid in which the double bonds at positions 2 and 4 have Z- and E-configuration respectively.

> <STAR>
3

> <IUPAC_NAME>
(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid

> <FORMULA>
C6H6O4

> <MASS>
142.10940

> <MONOISOTOPIC_MASS>
142.02661

> <CHARGE>
0

> <SMILES>
[H]C(=O)\C=C\C=C(/O)C(O)=O

> <INCHI>
InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)/b2-1+,5-3-

> <INCHIKEY>
KGLCZTRXNNGESL-WFTYEQLWSA-N

> <REAXYS_REGISTRY_NUMBER>
8974337

> <METACYC_ACCESSION>
CPD-14965

$$$$