CHEBI:67448 - ananolignan K

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ChEBI Name ananolignan K
ChEBI ID CHEBI:67448
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 C32H34O10
Net Charge 0
Average Mass 578.60640
Monoisotopic Mass 578.21520
InChI InChI=1S/C32H34O10/c1-16-17(2)27(42-32(34)19-11-9-8-10-12-19)21-14-23-29(40-15-39-23)31(38-7)25(21)24-20(26(16)41-18(3)33)13-22(35-4)28(36-5)30(24)37-6/h8-14,16-17,26-27H,15H2,1-7H3/t16-,17+,26+,27+/m0/s1
InChIKey GXKNDJXUIKGIKK-WDJHCCQWSA-N
SMILES COc1cc2[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](OC(=O)c3ccccc3)c3cc4OCOc4c(OC)c3-c2c(OC)c1OC
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 S 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 K (CHEBI:67448) has role metabolite (CHEBI:25212)
ananolignan K (CHEBI:67448) has role plant metabolite (CHEBI:76924)
ananolignan K (CHEBI:67448) is a acetate ester (CHEBI:47622)
ananolignan K (CHEBI:67448) is a aromatic ether (CHEBI:35618)
ananolignan K (CHEBI:67448) is a benzoate ester (CHEBI:36054)
ananolignan K (CHEBI:67448) is a lignan (CHEBI:25036)
ananolignan K (CHEBI:67448) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan K (CHEBI:67448) is a oxacycle (CHEBI:38104)
IUPAC Name
(5R,6S,7R,8R)-5-acetoxy-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydrobenzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxol-8-yl benzoate
Registry Number Type Source
21534266 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381710 PubMed citation Europe PMC
Last Modified
05 November 2013