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CHEBI:67440 - ananolignan C

ChEBI IDCHEBI:67440
ChEBI Nameananolignan C
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified5 November 2013
DownloadsMolfile
FormulaC23H28O8
Net Charge0
Average Mass432.469
Monoisotopic Mass432.17842
SMILESCOc1c(OC)c2c(cc1OC)[C@@H](O)[C@@H](C)[C@@H](C)[C@@H](O)c1cc3c(c(OC)c1-2)OCO3
InChIInChI=1S/C23H28O8/c1-10-11(2)19(25)13-8-15-21(31-9-30-15)23(29-6)17(13)16-12(18(10)24)7-14(26-3)20(27-4)22(16)28-5/h7-8,10-11,18-19,24-25H,9H2,1-6H3/t10-,11+,18-,19+/m0/s1
InChIKeyRGJPPASWKJBDTJ-XJSVZPCESA-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 C (CHEBI:67440) has role metabolite (CHEBI:25212)
ananolignan C (CHEBI:67440) has role plant metabolite (CHEBI:76924)
ananolignan C (CHEBI:67440) is a aromatic ether (CHEBI:35618)
ananolignan C (CHEBI:67440) is a diol (CHEBI:23824)
ananolignan C (CHEBI:67440) is a lignan (CHEBI:25036)
ananolignan C (CHEBI:67440) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan C (CHEBI:67440) is a oxacycle (CHEBI:38104)
IUPAC Name 
(5S,6S,7R,8R)-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]dioxole-5,8-diol
Registry NumbersSources
Reaxys:21534257Reaxys
Citations