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CHEBI:138049 - guaia-4,6-diene

ChEBI IDCHEBI:138049
ChEBI Nameguaia-4,6-diene
Stars
DefinitionA bicyclic sesquiterpene that is 1,2,6,7,8,8a-hexahydroazulene carrying an isopropyl substituent at position 5 as well as two methyl substituents at positions 5 and 8.
Last Modified16 October 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=C2C=C(C(C)C)CCC(C)C2CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-11,14H,5-8H2,1-4H3
InChIKeyHLXDFKWNOTZIEI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Xanthium strumarium (ncbitaxon:318068) - PubMed (26858282)
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)
guaia-4,6-diene (CHEBI:138049) has role plant metabolite (CHEBI:76924)
guaia-4,6-diene (CHEBI:138049) is a carbobicyclic compound (CHEBI:36785)
guaia-4,6-diene (CHEBI:138049) is a polycyclic olefin (CHEBI:35714)
guaia-4,6-diene (CHEBI:138049) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
3,8-dimethyl-5-(propan-2-yl)-1,2,6,7,8,8a-hexahydroazulene
Synonym  Source
5-isopropyl-3,8-dimethyl-1,2,6,7,8,8a-hexahydroazuleneChEBI
UniProt Name  Source
guaia-4,6-dieneUniProt
Manual XrefsDatabases
CPD-20225MetaCyc
Citations