Mrv0541 11271416182D          

 19 19  0  0  0  0            999 V2000
    2.0044   -7.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8293   -7.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390   -6.6898    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0640   -6.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8196   -5.9818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8894   -6.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7143   -6.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389   -6.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3638   -6.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0136   -6.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8386   -6.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2504   -5.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0754   -5.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4831   -5.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3081   -5.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7199   -4.4887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6060   -7.3604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7855   -7.3647    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1974   -8.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  1  0  0  0
 17 10  1  6  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
 12 13  1  0  0  0  0
  6  7  1  0  0  0  0
 13 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
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 17 19  1  0  0  0  0
  8  9  1  0  0  0  0
 18  9  1  6  0  0  0
M  END
> <ID>
CHEBI:66723

> <NAME>
panaxydol

> <DEFINITION>
A natural product found in Panax ginseng.

> <STAR>
2

> <IUPAC_NAME>
(3R)-8-[(2R,3S)-3-heptyloxiran-2-yl]oct-1-ene-4,6-diyn-3-ol

> <FORMULA>
C17H24O2

> <MASS>
260.37130

> <MONOISOTOPIC_MASS>
260.17763

> <CHARGE>
0

> <SMILES>
CCCCCCC[C@@H]1O[C@@H]1CC#CC#C[C@H](O)C=C

> <INCHI>
InChI=1S/C17H24O2/c1-3-5-6-7-10-13-16-17(19-16)14-11-8-9-12-15(18)4-2/h4,15-18H,2-3,5-7,10,13-14H2,1H3/t15-,16+,17-/m1/s1

> <INCHIKEY>
GVLDSGIQZAFIAN-IXDOHACOSA-N

> <CAS_REGISTRY_NUMBER>
72800-72-7

> <REAXYS_REGISTRY_NUMBER>
7926422

> <CHEMIDPLUS>
72800-72-7

> <KNAPSACK_ACCESSION>
C00030922

> <PUBMED_CITATION>
2092947

$$$$