Marvin  03231110592D          

 15 15  0  0  0  0            999 V2000
   12.5680   -5.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8566   -6.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5680   -4.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8566   -6.9472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3008   -6.1066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1453   -5.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4340   -6.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7011   -5.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9898   -6.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6796   -4.9211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569   -5.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9682   -4.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2569   -4.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5672   -6.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0113   -7.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  5  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 15  9  1  0  0  0  0
 12 10  2  0  0  0  0
 13 11  2  0  0  0  0
 14 11  1  0  0  0  0
 13 12  1  0  0  0  0
M  END
> <ID>
CHEBI:19603

> <NAME>
2-hydroxy-3-methylbenzylidenepyruvic acid

> <DEFINITION>
An 2-oxo monocarboxylic acid consisting of pyruvic acid having a 2-hydroxy-3-methylbenzylidene group at the 3-position.

> <STAR>
3

> <SYNONYM>
2-hydroxy-3-methyl benzalpyruvic acid

> <IUPAC_NAME>
(3E)-4-(2-hydroxy-3-methylphenyl)-2-oxobut-3-enoic acid

> <FORMULA>
C11H10O4

> <MASS>
206.19470

> <MONOISOTOPIC_MASS>
206.05791

> <CHARGE>
0

> <SMILES>
Cc1cccc(\C=C\C(=O)C(O)=O)c1O

> <INCHI>
InChI=1S/C11H10O4/c1-7-3-2-4-8(10(7)13)5-6-9(12)11(14)15/h2-6,13H,1H3,(H,14,15)/b6-5+

> <INCHIKEY>
DWONKORAGIKGGD-AATRIKPKSA-N

$$$$