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CHEBI:142470 - 8-epi-inunolide

ChEBI IDCHEBI:142470
ChEBI Name8-epi-inunolide
Stars
ASCII Name8-epi-inunolide
DefinitionA germacranolide that is (3aR,5E,9E,11aS)-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan substituted by an oxo group, methylidene group, methyl group and methyl group at positions 2,3,6 and 10, respectively.
Last Modified3 August 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H20O2
Net Charge0
Average Mass232.323
Monoisotopic Mass232.14633
SMILES[H][C@]12C/C(C)=C/CC/C(C)=C/C[C@]1([H])C(=C)C(=O)O2
InChIInChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,13-14H,3-5,8-9H2,1-2H3/b10-7+,11-6+/t13-,14+/m1/s1
InChIKeyBBMLTTOFEBDQIR-IAJVGIPZSA-N
Species of MetaboliteComponentSourceComments
Inula hupehensis (ncbitaxon:1805964) - PubMed (29086444)
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)
8-epi-inunolide (CHEBI:142470) has functional parent 8α-hydroxygermacra-1(10),4,11(13)-trien-12-oate (CHEBI:142490)
8-epi-inunolide (CHEBI:142470) has role plant metabolite (CHEBI:76924)
8-epi-inunolide (CHEBI:142470) is a germacranolide (CHEBI:73011)
IUPAC Name 
(3aR,5E,9E,11aS)-6,10-dimethyl-3-methylene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one
UniProt Name  Source
8-epi-inunolideUniProt
Manual XrefsDatabases
CPD-21663MetaCyc
Citations