180093
  CDK     0602212310

 15 15  0  0  0  0  0  0  0  0999 V2000
    7.0640   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4765    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1909    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6200    0.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3344   -0.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0489   -0.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  3  6  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6 10  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  3  0  0  0  0 
 11 13  2  0  0  0  0 
 12 14  1  0  0  0  0 
 14 15  3  0  0  0  0 
M  END
> <ID>
CHEBI:173566

> <NAME>
Panaquinquecol 5

> <STAR>
2

> <IUPAC_NAME>
2-hept-6-enyl-3-penta-2,4-diynyloxirane

> <FORMULA>
C14H18O

> <MASS>
202.297

> <MONOISOTOPIC_MASS>
202.13577

> <CHARGE>
0

> <SMILES>
O1C(C1CC#CC#C)CCCCCC=C

> <INCHI>
InChI=1S/C14H18O/c1-3-5-7-8-10-12-14-13(15-14)11-9-6-4-2/h2-3,13-14H,1,5,7-8,10-12H2

> <INCHIKEY>
TVKDYKYMRUCXKP-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
122122-03-6

> <CHEMIDPLUS>
122122-03-6

$$$$