15725813
  CDK     0811221958

 22 22  0  0  0  0  0  0  0  0999 V2000
    8.4929    0.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0804    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3344    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0489    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7634    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4779    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1924    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9068    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  2 17  1  0  0  0  0 
  2 21  1  0  0  0  0 
  3 21  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 15  3  0  0  0  0 
 13 14  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 19  3  0  0  0  0 
 17 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:192937

> <NAME>
Ginsenoyne G

> <STAR>
2

> <IUPAC_NAME>
8-(3-heptyloxiran-2-yl)octa-4,6-diyn-3-yl acetate

> <FORMULA>
C19H28O3

> <MASS>
304.430

> <MONOISOTOPIC_MASS>
304.20384

> <CHARGE>
0

> <SMILES>
O1C(C1CC#CC#CC(OC(=O)C)CC)CCCCCCC

> <INCHI>
InChI=1S/C19H28O3/c1-4-6-7-8-11-14-18-19(22-18)15-12-9-10-13-17(5-2)21-16(3)20/h17-19H,4-8,11,14-15H2,1-3H3

> <INCHIKEY>
UDOFLRJQZVKUBL-UHFFFAOYSA-N

$$$$