1.02010-04-08 22:06:23 UTC2019-11-26 03:00:12 UTCFDB0047523E,11E-Trideca-1,3,11-triene-5,7,9-triyne3e,11e-trideca-1,3,11-triene-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. 3e,11e-trideca-1,3,11-triene-5,7,9-triyne can be found in safflower, which makes 3e,11e-trideca-1,3,11-triene-5,7,9-triyne a potential biomarker for the consumption of this food product. C13H10166.2185166.07825032(3E,11E)-trideca-1,3,11-trien-5,7,9-triyne(3E,11E)-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-YDFGWWAZSA-Nlogp4.45logs-4.33solubility7.80e-03 g/llogp3.97iupac(3E,11E)-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-YDFGWWAZSA-Npolar_surface_area0refractivity61.98polarizability21.33rotatable_bond_count5acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::MsMs101097Specdb::MsMs101098Specdb::MsMs101099Specdb::MsMs166617Specdb::MsMs166618Specdb::MsMs166619Specdb::MsMs3600911Specdb::MsMs3600912Specdb::MsMs3600913Specdb::MsMs3600914Specdb::MsMs3600915Specdb::MsMs3600916SafflowerType 1specificCarthamus tinctorius4222