61325
  CDK     0409211652

 10 10  0  0  0  0  0  0  0  0999 V2000
    3.3679   -0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4705    0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0353   -0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7804    0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -0.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9554    0.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8200   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9158   -0.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.8823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  6  1  0  0  0  0 
  2  7  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  5  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  7  2  0  0  0  0 
  6  9  1  0  0  0  0 
M  END
> <ID>
CHEBI:169411

> <NAME>
Mesifurane

> <STAR>
2

> <IUPAC_NAME>
4-methoxy-2,5-dimethyluran-3-one

> <FORMULA>
C7H10O3

> <MASS>
142.154

> <MONOISOTOPIC_MASS>
142.06299

> <CHARGE>
0

> <SMILES>
O1C(C(=O)C(OC)=C1C)C

> <INCHI>
InChI=1S/C7H10O3/c1-4-6(8)7(9-3)5(2)10-4/h4H,1-3H3

> <INCHIKEY>
SIMKGHMLPVDSJE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
4077-47-8

> <CHEMIDPLUS>
4077-47-8

$$$$