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CHEBI:67448 - ananolignan K

ChEBI IDCHEBI:67448
ChEBI Nameananolignan K
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
Last Modified5 November 2013
DownloadsMolfile
FormulaC32H34O10
Net Charge0
Average Mass578.614
Monoisotopic Mass578.21520
SMILESCOc1c(OC)c2c(cc1OC)[C@H](OC(C)=O)[C@@H](C)[C@@H](C)[C@@H](OC(=O)c1ccccc1)c1cc3c(c(OC)c1-2)OCO3
InChIInChI=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
InChIKeyGXKNDJXUIKGIKK-WDJHCCQWSA-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 S
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 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 NumbersSources
Reaxys:21534266Reaxys
Citations