Ketcher 08141911042D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
    7.1445  -11.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786  -11.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125  -11.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5464  -11.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6805  -11.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8144  -11.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484  -11.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0823  -11.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2786  -10.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4125  -12.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9484  -12.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  2  9  2  0     0  0
  3 10  1  0     0  0
  7 11  2  0     0  0
M  CHG  1   1  -1
M  END
> <ID>
CHEBI:144490

> <NAME>
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate

> <DEFINITION>
A 2-hydroxy-6-oxo-2,4-heptadienoate which has 2Z,4E configuration. Obtained by deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid, it is the major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate

> <IUPAC_NAME>
(2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate

> <FORMULA>
C7H7O4

> <MASS>
155.130

> <MONOISOTOPIC_MASS>
155.03498

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)/p-1/b3-2+,6-4-

> <INCHIKEY>
HVZGWILTESYJSP-ZPYFUIHZSA-M

> <METACYC_ACCESSION>
CPD-8782

> <PUBMED_CITATION>
1916282

$$$$