1.02010-04-08 22:06:22 UTC2019-11-26 03:00:12 UTCFDB004744(Z,Z)-1,3,11-Tridecatriene-5,7,9-triyne(z,z)-1,3,11-tridecatriene-5,7,9-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group (z,z)-1,3,11-tridecatriene-5,7,9-triyne can be found in safflower, which makes (z,z)-1,3,11-tridecatriene-5,7,9-triyne a potential biomarker for the consumption of this food product. (Z,Z)-3,11-TRIDECATRIENE-5,7,9-TRIYNEC13H10166.2185166.07825032(3Z,11Z)-trideca-1,3,11-trien-5,7,9-triyne(3Z,11Z)-trideca-1,3,11-trien-5,7,9-triyneC\C=C/C#CC#CC#C\C=C/C=CInChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5-KAGUESUDHDXNCN-PEPZGXQESA-N belongs to the class of organic compounds known as enynes. These are hydrocarbons containing an alkene and an alkyne group.EnynesOrganic compoundsHydrocarbonsUnsaturated hydrocarbonsEnynesAliphatic acyclic compoundsAcyclic acetylenesAcyclic olefinsUnsaturated aliphatic hydrocarbonsAcetyleneAcyclic acetyleneAcyclic olefinAliphatic acyclic compoundEnyneOlefinUnsaturated aliphatic hydrocarbonlogp4.45logs-4.33solubility7.80e-03 g/llogp3.97iupac(3Z,11Z)-trideca-1,3,11-trien-5,7,9-triyneaverage_mass166.2185mono_mass166.07825032smilesC\C=C/C#CC#CC#C\C=C/C=CformulaC13H10inchiInChI=1S/C13H10/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-7H,1H2,2H3/b6-4-,7-5-inchikeyKAGUESUDHDXNCN-PEPZGXQESA-Npolar_surface_area0refractivity61.98polarizability20.5rotatable_bond_count5acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsMs82689Specdb::MsMs82690Specdb::MsMs82691Specdb::MsMs144126Specdb::MsMs144127Specdb::MsMs144128Specdb::MsMs3600893Specdb::MsMs3600894Specdb::MsMs3600895Specdb::MsMs3600896Specdb::MsMs3600897Specdb::MsMs3600898SafflowerType 1specificCarthamus tinctorius42220.0820.0820.082mg/100 g