21134279
  CDK     0602212310

 15 16  0  0  0  0  0  0  0  0999 V2000
    5.2088    0.9681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -0.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    1.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2516    1.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0673    1.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4016    1.1382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.5879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.4746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0 
  2 12  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 12  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  9 12  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
M  END
> <ID>
CHEBI:173593

> <NAME>
Jasmine ketolactone

> <STAR>
2

> <IUPAC_NAME>
(6Z)-1,4,5,8,8a,10,11,11a-octahydrocyclopenta[d]oxecine-2,9-dione

> <FORMULA>
C12H16O3

> <MASS>
208.257

> <MONOISOTOPIC_MASS>
208.10994

> <CHARGE>
0

> <SMILES>
O=C1C2C(CC1)CC(OCCC=CC2)=O

> <INCHI>
InChI=1S/C12H16O3/c13-11-6-5-9-8-12(14)15-7-3-1-2-4-10(9)11/h1-2,9-10H,3-8H2/b2-1-

> <INCHIKEY>
DINQMNROFIPFOH-UPHRSURJSA-N

$$$$