CDK     1030232203

 19 19  0  0  0  0  0  0  0  0999 V2000
    7.1449   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4304    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7159    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0014    2.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2870   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1435    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  5  2  0  0  0  0 
  4  6  2  0  0  0  0 
  5  7  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  9  1  0  0  0  0 
  8 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 13 11  1  0  0  0  0 
 13 14  1  0  0  0  0 
 13 15  1  1  0  0  0 
 16 14  1  0  0  0  0 
 16 17  1  0  0  0  0 
 16 18  1  1  0  0  0 
 17 19  1  0  0  0  0 
  6  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:227457

> <NAME>
Fusolanone A

> <STAR>
2

> <IUPAC_NAME>
2-[(E,4S,6S)-4,6-dimethyloct-2-en-2-yl]-6-methoxypyran-4-one

> <FORMULA>
C16H24O3

> <MASS>
264.365

> <MONOISOTOPIC_MASS>
264.17254

> <CHARGE>
0

> <SMILES>
O=C1C=C(OC(=C1)/C(=C/[C@H](C[C@H](CC)C)C)/C)OC

> <INCHI>
InChI=1S/C16H24O3/c1-6-11(2)7-12(3)8-13(4)15-9-14(17)10-16(18-5)19-15/h8-12H,6-7H2,1-5H3/b13-8+/t11-,12-/m0/s1

> <INCHIKEY>
RLXRXFFPUSMRGH-VKXYGBLQSA-N

$$$$