1.02010-04-08 22:09:45 UTC2019-11-26 03:05:12 UTCFDB011658(E)-1,11-Tridecadiene-3,5,7,9-tetrayneTrace constituent of roots Triticum aestivum (wheat). Isolated from Carthamus tinctorius (safflower). (E)-1,11-Tridecadiene-3,5,7,9-tetrayne is found in many foods, some of which are herbs and spices, safflower, wheat, and fats and oils.C13H8164.2026164.062600256(11Z)-trideca-1,11-dien-3,5,7,9-tetrayne(11Z)-trideca-1,11-dien-3,5,7,9-tetrayne26130-86-9C\C=C/C#CC#CC#CC#CC=CInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4-KBEMPFYJJCTZIG-XQRVVYSFSA-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 hydrocarbonlogp4.43logs-4.30solubility8.31e-03 g/llogp3.92iupac(11Z)-trideca-1,11-dien-3,5,7,9-tetrayneaverage_mass164.2026mono_mass164.062600256smilesC\C=C/C#CC#CC#CC#CC=CformulaC13H8inchiInChI=1S/C13H8/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-4,6H,1H2,2H3/b6-4-inchikeyKBEMPFYJJCTZIG-XQRVVYSFSA-Npolar_surface_area0refractivity60.22polarizability20.37rotatable_bond_count5acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::CMs10332Specdb::CMs165913Specdb::MsMs111357Specdb::MsMs111358Specdb::MsMs111359Specdb::MsMs2834112Specdb::MsMs2834113Specdb::MsMs2834114Specdb::MsMs52572Specdb::MsMs52573Specdb::MsMs52574Specdb::MsMs2871683Specdb::MsMs2871684Specdb::MsMs2871685Breakfast cerealType 2specificCereals and cereal productsUnknowngenericFats and oilsUnknowngenericHerbs and SpicesUnknowngenericSafflowerType 1specificCarthamus tinctorius4222WheatType 1specificTriticum4564