11 11  0  0  0  0  0  0  0  0999 V2000
   26.1800  -20.7200    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   27.3000  -19.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6000  -22.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8500  -20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4200  -20.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0000  -22.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7600  -23.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5700  -18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7500  -20.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.6200  -17.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2400  -18.4800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  8 10  1  0     0  0
  8 11  2  0     0  0
  5  6  1  0     0  0
M  END
> <ID>
CHEBI:81662

> <NAME>
4-Methyl-3-oxoadipate-enol-lactone

> <STAR>
2

> <FORMULA>
C7H8O4

> <MASS>
156.13600

> <MONOISOTOPIC_MASS>
156.04226

> <CHARGE>
0

> <SMILES>
CC1=C(CC(O)=O)OC(=O)C1

> <INCHI>
InChI=1S/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2-3H2,1H3,(H,8,9)

> <INCHIKEY>
DAJDHKXIQYXYPH-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C18311

$$$$