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CHEBI:67451 - ananolignan N

ChEBI IDCHEBI:67451
ChEBI Nameananolignan N
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified5 November 2013
DownloadsMolfile
FormulaC32H40O10
Net Charge0
Average Mass584.662
Monoisotopic Mass584.26215
SMILESC/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)[C@H](OC(=O)CCC)[C@H](C)[C@@H]1C
InChIInChI=1S/C32H40O10/c1-10-12-23(33)41-26-17(4)18(5)27(42-32(34)16(3)11-2)19-13-21(35-6)28(36-7)30(37-8)24(19)25-20(26)14-22-29(31(25)38-9)40-15-39-22/h11,13-14,17-18,26-27H,10,12,15H2,1-9H3/b16-11-/t17-,18+,26-,27-/m1/s1
InChIKeyYWOQCMUIZIFGSH-NWTVNDALSA-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 N (CHEBI:67451) has functional parent angelic acid (CHEBI:36431)
ananolignan N (CHEBI:67451) has role metabolite (CHEBI:25212)
ananolignan N (CHEBI:67451) has role plant metabolite (CHEBI:76924)
ananolignan N (CHEBI:67451) is a aromatic ether (CHEBI:35618)
ananolignan N (CHEBI:67451) is a butyrate ester (CHEBI:50477)
ananolignan N (CHEBI:67451) is a enoate ester (CHEBI:51702)
ananolignan N (CHEBI:67451) is a lignan (CHEBI:25036)
ananolignan N (CHEBI:67451) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan N (CHEBI:67451) is a oxacycle (CHEBI:38104)
IUPAC Name 
(5R,6S,7R,8R)-8-(butyryloxy)-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-5-yl (2Z)-2-methylbut-2-enoate
Registry NumbersSources
Reaxys:21534269Reaxys
Citations