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CHEBI:138039 - (3E,7E)-dolathalia-3,7,11-triene

ChEBI IDCHEBI:138039
ChEBI Name(3E,7E)-dolathalia-3,7,11-triene
Stars
ASCII Name(3E,7E)-dolathalia-3,7,11-triene
DefinitionA bicyclic diterpene consisting of 2,3,5,6,9,10,13,13a-octahydro-1H-benzo[11]annulene carrying five methyl substituents at positions 3, 3, 7, 11 and 13a.
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILESC/C1=C\CC2(C)CCC(C)(C)C=C2CC/C(C)=C/CC1
InChIInChI=1S/C20H32/c1-16-7-6-8-17(2)11-12-20(5)14-13-19(3,4)15-18(20)10-9-16/h7,11,15H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+
InChIKeyKDEVGDLVYKBTQM-WPNGSOMFSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) - MetaboLights (27933080)
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)
(3E,7E)-dolathalia-3,7,11-triene (CHEBI:138039) has role plant metabolite (CHEBI:76924)
(3E,7E)-dolathalia-3,7,11-triene (CHEBI:138039) is a carbobicyclic compound (CHEBI:36785)
(3E,7E)-dolathalia-3,7,11-triene (CHEBI:138039) is a diterpene (CHEBI:35190)
(3E,7E)-dolathalia-3,7,11-triene (CHEBI:138039) is a polycyclic olefin (CHEBI:35714)
IUPAC Name 
(7E,11E)-3,3,7,11,13a-pentamethy1-2,3,5,6,9,10,13,13a-octahydro-1H-benzo[11]annulene
UniProt Name  Source
(3E,7E)-dolathalia-3,7,11-trieneUniProt
Manual XrefsDatabases
CPD-20110MetaCyc
Registry NumbersSources
Reaxys:129320436Reaxys
Citations