Mrv0541 11181311222D          

  9  9  0  0  0  0            999 V2000
   -1.4384    1.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007    0.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0378    0.1527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659    0.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135    1.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301    2.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0218    2.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151    0.2313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3486    0.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  2  0  0  0  0
  2  8  1  0  0  0  0
  4  9  2  0  0  0  0
M  END
> <ID>
CHEBI:76246

> <NAME>
2-methyl-5-methylenefuran-3,4-dione

> <DEFINITION>
An α-diketone that is the 3,4-diketo derivative of 2-methyl-5-methylenefuran.

> <STAR>
3

> <IUPAC_NAME>
2-methyl-5-methylenefuran-3,4(2H,5H)-dione

> <FORMULA>
C6H6O3

> <MASS>
126.11000

> <MONOISOTOPIC_MASS>
126.03169

> <CHARGE>
0

> <SMILES>
CC1OC(=C)C(=O)C1=O

> <INCHI>
InChI=1S/C6H6O3/c1-3-5(7)6(8)4(2)9-3/h4H,1H2,2H3

> <INCHIKEY>
QNXPRMJHYUHYKW-UHFFFAOYSA-N

$$$$