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CHEBI:67441 - ananolignan D

Default Structure
ChEBI IDCHEBI:67441
ChEBI Nameananolignan D
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified5 November 2013
DownloadsMolfile
FormulaC25H30O9
Net Charge0
Average Mass474.506
Monoisotopic Mass474.18898
SMILESCOc1c(OC)c2c(cc1OC)[C@@H](O)[C@@H](C)[C@@H](C)[C@@H](OC(C)=O)c1cc3c(c(OC)c1-2)OCO3
InChIInChI=1S/C25H30O9/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/h8-9,11-12,20-21,27H,10H2,1-7H3/t11-,12+,20-,21+/m0/s1
InChIKeyVMDLXEJHKASDPJ-YGGHMXSPSA-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:
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.
ChEBI Ontology
Outgoing Relation(s)
ananolignan D (CHEBI:67441) has role metabolite (CHEBI:25212)
ananolignan D (CHEBI:67441) has role plant metabolite (CHEBI:76924)
ananolignan D (CHEBI:67441) is a acetate ester (CHEBI:47622)
ananolignan D (CHEBI:67441) is a aromatic ether (CHEBI:35618)
ananolignan D (CHEBI:67441) is a lignan (CHEBI:25036)
ananolignan D (CHEBI:67441) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan D (CHEBI:67441) is a oxacycle (CHEBI:38104)
ananolignan D (CHEBI:67441) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(5S,6S,7R,8R)-5-hydroxy-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 acetate
Registry NumbersSources
Reaxys:21534259Reaxys
Citations