CHEBI:142470 - 8-epi-inunolide

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ChEBI Name 8-epi-inunolide
ChEBI ID CHEBI:142470
ChEBI ASCII Name 8-epi-inunolide
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H20O2
Net Charge 0
Average Mass 232.323
Monoisotopic Mass 232.14633
InChI InChI=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
InChIKey BBMLTTOFEBDQIR-IAJVGIPZSA-N
SMILES [H][C@]12C\C(C)=C\CC\C(C)=C\C[C@]1([H])C(=C)C(=O)O2
Metabolite of Species Details
Inula hupehensis (NCBI:txid1805964) See: PubMed
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 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
Synonym Source
8-epi-inunolide UniProt
Manual Xref Database
CPD-21663 MetaCyc
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Citations Waiting for Citations Types Sources
17265245 PubMed citation Europe PMC
29086444 PubMed citation SUBMITTER
Last Modified
03 August 2020