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CHEBI:86062 - abietatriene

ChEBI IDCHEBI:86062
ChEBI Nameabietatriene
Stars
DefinitionA diterpene that is abietane having three double bonds located at positions 8, 11 and 13.
Last Modified23 September 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H30
Net Charge0
Average Mass270.460
Monoisotopic Mass270.23475
SMILES[H][C@@]12CCc3cc(C(C)C)ccc3[C@@]1(C)CCCC2(C)C
InChIInChI=1S/C20H30/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13-14,18H,6,8,10-12H2,1-5H3/t18-,20+/m0/s1
InChIKeyQUUCYKKMFLJLFS-AZUAARDMSA-N
Species of MetaboliteComponentSourceComments
Rosmarinus officinalis (ncbitaxon:39367) - PubMed (26020634)
Salvia miltiorrhiza (ncbitaxon:226208) - PubMed (24108414)
Plectranthus barbatus (ncbitaxon:41228) - PubMed (24823881)
Pogostemon hirsutus Benth (ncbitaxon:694404) leaf (BTO:0000713) PubMed (24555296)
Calceolaria integrifolia (ncbitaxon:240950) aerial part (BTO:0001658) PubMed (23607420)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
abietatriene (CHEBI:86062) has parent hydride abietane (CHEBI:35673)
abietatriene (CHEBI:86062) has role plant metabolite (CHEBI:76924)
abietatriene (CHEBI:86062) is a diterpene (CHEBI:35190)
IUPAC Name 
abieta-8,11,13-triene
Synonym  Source
DehydroabietaneKNApSAcK
UniProt Name  Source
abieta-8,11,13-trieneUniProt
Manual XrefsDatabases
CPD-8721MetaCyc
C00035987KNApSAcK
Registry NumbersSources
Reaxys:2050878Reaxys
Citations