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CHEBI:67439 - ananolignan B

Default Structure
ChEBI IDCHEBI:67439
ChEBI Nameananolignan B
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified5 November 2013
DownloadsMolfile
FormulaC25H28O9
Net Charge0
Average Mass472.490
Monoisotopic Mass472.17333
SMILESCOc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](OC(C)=O)[C@@H](C)[C@H](C)C2=O
InChIInChI=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
InChIKeyAMQMJZAWJCIUQK-OABGYEMISA-N
Species of MetaboliteComponentSourceComments
Kadsura ananosma (ncbitaxon:133441) seed (BTO:0001226) PubMed (21381710) 70% aqueous acetone extract of air-dried and powdered seeds, biphenyl configuration is R
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:21534258Reaxys
Citations