CHEBI:67439 - ananolignan B

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ChEBI Name ananolignan B
ChEBI ID CHEBI:67439
Definition A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H28O9
Net Charge 0
Average Mass 472.48440
Monoisotopic Mass 472.17333
InChI InChI=1S/C25H28O9/c1-11-12(2)21(34-13(3)26)15-9-17-23(33-10-32-17)25(31-7)19(15)18-14(20(11)27)8-16(28-4)22(29-5)24(18)30-6/h8-9,11-12,21H,10H2,1-7H3/t11-,12-,21-/m0/s1
InChIKey AMQMJZAWJCIUQK-OABGYEMISA-N
SMILES COc1cc2c(c(OC)c1OC)-c1c(cc3OCOc3c1OC)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C2=O
Metabolite of Species Details
Kadsura ananosma (NCBI:txid133441) Found in seed (BTO:0001226). 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is R See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ananolignan B (CHEBI:67439) has role metabolite (CHEBI:25212)
ananolignan B (CHEBI:67439) has role plant metabolite (CHEBI:76924)
ananolignan B (CHEBI:67439) is a acetate ester (CHEBI:47622)
ananolignan B (CHEBI:67439) is a aromatic ether (CHEBI:35618)
ananolignan B (CHEBI:67439) is a lignan (CHEBI:25036)
ananolignan B (CHEBI:67439) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan B (CHEBI:67439) is a oxacycle (CHEBI:38104)
IUPAC Name
(6S,7S,8S)-1,2,3,13-tetramethoxy-6,7-dimethyl-5-oxo-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl acetate
Registry Number Type Source
21534258 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381710 PubMed citation Europe PMC
Last Modified
05 November 2013