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CHEBI:194155 - guaia-1(5),6-diene

ChEBI IDCHEBI:194155
ChEBI Nameguaia-1(5),6-diene
Stars
DefinitionA carbobicyclic compound that is 1,2,3,4,5,6-hexahydroazulene substituted by methyl groups at positions 1S and 4S and by an isoproyl group at position 7. It is a sesquiterpene synthesised by heterologous expression of a sesquiterpene cyclase from the deep-sea fungus Spiromastix sp.
Last Modified9 January 2023
SubmitterTereza Calounova
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC(C)C1=CC2=C(CC[C@@H]2C)[C@@H](C)CC1
InChIInChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3/t11-,12-/m0/s1
InChIKeyYLPOFTFBOIPYLE-RYUDHWBXSA-N
Species of MetaboliteComponentSourceComments
Spiromastix sp. (ncbitaxon:2044277) - PubMed (36414326)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
guaia-1(5),6-diene (CHEBI:194155) has role fungal metabolite (CHEBI:76946)
guaia-1(5),6-diene (CHEBI:194155) has role marine metabolite (CHEBI:76507)
guaia-1(5),6-diene (CHEBI:194155) is a carbobicyclic compound (CHEBI:36785)
guaia-1(5),6-diene (CHEBI:194155) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S,4S)-1,4-dimethyl-7-(propan-2-yl)-1,2,3,4,5,6-hexahydroazulene
Citations