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CHEBI:172937 - (+)-thalianatriene

ChEBI IDCHEBI:172937
ChEBI Name(+)-thalianatriene
Stars
DefinitionA sesterterpene with formula C25H40 that is produced by a sesterterpene synthase gene from the plant Arabidopsis thaliana.
Last Modified13 July 2021
SubmitterTereza Calounova
DownloadsMolfile
FormulaC25H40
Net Charge0
Average Mass340.595
Monoisotopic Mass340.31300
SMILES[H][C@@]12C[C@]3([H])/C(C)=C/CC/C(C)=C/CCC(=C)[C@@]3([H])C[C@@]1(C)CC[C@@H]2C(C)C
InChIInChI=1S/C25H40/c1-17(2)21-13-14-25(6)16-23-20(5)12-8-10-18(3)9-7-11-19(4)22(23)15-24(21)25/h10-11,17,21-24H,5,7-9,12-16H2,1-4,6H3/b18-10+,19-11+/t21-,22-,23-,24+,25-/m1/s1
InChIKeyXHQMHRRRDVHUPL-STTJJXKTSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - PubMed (28350168)
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)
(+)-thalianatriene (CHEBI:172937) has role plant metabolite (CHEBI:76924)
(+)-thalianatriene (CHEBI:172937) is a carbotricyclic compound (CHEBI:38032)
(+)-thalianatriene (CHEBI:172937) is a polycyclic olefin (CHEBI:35714)
(+)-thalianatriene (CHEBI:172937) is a sesterterpene (CHEBI:35192)
IUPAC Name 
(1R,3aR,4aS,8E,12E,13aS,14aS)-3a,9,13-trimethyl-5-methylidene-1-(propan-2-yl)-1,2,3,3a,4,4a,5,6,7,10,11,13a,14,14a-tetradecahydrocycloundeca[f]indene
Manual XrefsDatabases
62702347ChemSpider
Citations