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CHEBI:69325 - (1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide

ChEBI IDCHEBI:69325
ChEBI Name(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
Stars
ASCII Name(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide
DefinitionA pseudoguaianolide isolated from the aerial parts of Inula hupehensis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILES[H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](O)C[C@@H](C)[C@]1([H])C=CC(=O)[C@@]21C
InChIInChI=1S/C15H18O4/c1-7-6-10(16)12-8(2)14(18)19-13(12)15(3)9(7)4-5-11(15)17/h4-5,7,9-10,12-13,16H,2,6H2,1,3H3/t7-,9+,10+,12-,13+,15+/m1/s1
InChIKeyAOWQDAQVNAATGF-GSNHZRAGSA-N
Species of MetaboliteComponentSourceComments
Inula hupehensis (IPNI:225932-1) aerial part (BTO:0001658) PubMed (21894898) 95% aqueous EtOH extract of dried and powdered aerial parts
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.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide (CHEBI:69325) has role anti-inflammatory agent (CHEBI:67079)
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide (CHEBI:69325) has role plant metabolite (CHEBI:76924)
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide (CHEBI:69325) is a cyclic ketone (CHEBI:3992)
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide (CHEBI:69325) is a organic heterotricyclic compound (CHEBI:26979)
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide (CHEBI:69325) is a pseudoguaianolide (CHEBI:76704)
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide (CHEBI:69325) is a secondary alcohol (CHEBI:35681)
(1R,5R,6S,7R,8S,10R)-8-hydroxy-4-oxopseudoguai-2(3),11(13)-dien-12,6-olide (CHEBI:69325) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aR,4S,6R,6aR,9aR,9bS)-4-hydroxy-6,9a-dimethyl-3-methylidene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione
Registry NumbersSources
Reaxys:21902552Reaxys
Citations