CHEBI:67445 - ananolignan H

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ChEBI Name ananolignan H
ChEBI ID CHEBI:67445
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 C29H36O10
Net Charge 0
Average Mass 544.59010
Monoisotopic Mass 544.23085
InChI InChI=1S/C29H36O10/c1-13(2)29(31)39-24-15(4)14(3)23(38-16(5)30)17-10-19(32-6)25(33-7)27(34-8)21(17)22-18(24)11-20-26(28(22)35-9)37-12-36-20/h10-11,13-15,23-24H,12H2,1-9H3/t14-,15+,23+,24+/m0/s1
InChIKey BYWYHNJXDVXTHJ-ZSXZNSMSSA-N
SMILES COc1cc2[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](OC(=O)C(C)C)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 H (CHEBI:67445) has functional parent isobutyric acid (CHEBI:16135)
ananolignan H (CHEBI:67445) has role metabolite (CHEBI:25212)
ananolignan H (CHEBI:67445) has role plant metabolite (CHEBI:76924)
ananolignan H (CHEBI:67445) is a acetate ester (CHEBI:47622)
ananolignan H (CHEBI:67445) is a aromatic ether (CHEBI:35618)
ananolignan H (CHEBI:67445) is a lignan (CHEBI:25036)
ananolignan H (CHEBI:67445) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan H (CHEBI:67445) 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 2-methylpropanoate
Registry Number Type Source
21534262 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21381710 PubMed citation Europe PMC
Last Modified
05 November 2013