Marvin  08300611092D          

 12 11  0  0  0  0            999 V2000
   -3.2791   -0.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936    0.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8501   -0.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    0.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1357    1.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2933    0.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2933    1.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0077    1.4728    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.5646    0.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646    1.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    1.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    2.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  9  3  1  0  0  0  0
  1  2  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 11  2  0  0  0  0
 11  7  1  0  0  0  0
  7  6  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
M  CHG  1   8  -1
M  END
> <ID>
CHEBI:18540

> <NAME>
(2E,4Z)-2-hydroxy-6-oxoocta-2,4,7-trienoate

> <STAR>
3

> <SYNONYM>
(2E,4Z)-2-Hydroxy-6-oxoocta-2,4,7-trienoate

> <FORMULA>
C8H7O4

> <MASS>
167.13878

> <MONOISOTOPIC_MASS>
167.03498

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C8H8O4/c1-2-6(9)4-3-5-7(10)8(11)12/h2-5,10H,1H2,(H,11,12)/p-1/b4-3-,7-5+

> <INCHIKEY>
BJIODCHLKBGSCT-QVXLNCAUSA-M

$$$$