CDK    7/27/12,16:43

 19 18  0  0  0  0  0  0  0  0999 V2000
    6.6708    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3853    1.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0998    1.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8170    1.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0998    0.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5250    2.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2340    2.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9306    2.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6271    3.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3583    3.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3929    2.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1240    1.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6963    1.7583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8206    2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5517    1.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2482    2.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9794    1.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6759    2.3803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4071    1.9981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  9 10  2  0  0  0  0 
  2  3  1  0  0  0  0 
 10 11  1  0  0  0  0 
  4  6  3  0  0  0  0 
 11 12  1  0  0  0  0 
  1  2  2  0  0  0  0 
 11 13  1  0  0  0  0 
  6  7  1  0  0  0  0 
 12 14  1  0  0  0  0 
  3  4  1  0  0  0  0 
 14 15  1  0  0  0  0 
  7  8  3  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
  8  9  1  0  0  0  0 
 17 18  1  0  0  0  0 
  3  5  1  0  0  0  0 
 18 19  1  0  0  0  0 
M  END
> <ID>
CHEBI:66471

> <NAME>
Seselidiol

> <DEFINITION>
A natural product found in Seseli mairei. 

> <STAR>
2

> <SYNONYM>
Heptadeca1,8(Z)-diene-4,6-diyne-3,10-diol

> <FORMULA>
C17H24O2

> <MASS>
260.37130

> <MONOISOTOPIC_MASS>
260.17763

> <CHARGE>
0

> <SMILES>
CCCCCCCC(O)\C=C/C#CC#CC(O)C=C

> <INCHI>
InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12-

> <INCHIKEY>
DSVMWGREWREVQQ-QINSGFPZSA-N

> <CAS_REGISTRY_NUMBER>
132075-01-5

> <CHEMIDPLUS>
132075-01-5

> <PUBMED_CITATION>
2095375

$$$$