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

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ChEBI Name (3E,7E)-dolathalia-3,7,11-triene
ChEBI ID CHEBI:138039
ChEBI ASCII Name (3E,7E)-dolathalia-3,7,11-triene
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C20H32
Net Charge 0
Average Mass 272.476
Monoisotopic Mass 272.25040
InChI InChI=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+
InChIKey KDEVGDLVYKBTQM-WPNGSOMFSA-N
SMILES C\C1=C/CC2(C)CCC(C)(C)C=C2CC\C(C)=C\CC1
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing (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
Synonym Source
(3E,7E)-dolathalia-3,7,11-triene UniProt
Manual Xref Database
CPD-20110 MetaCyc
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Registry Number Type Source
129320436 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
27933080 PubMed citation SUBMITTER
Last Modified
03 August 2020