EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67439 - ananolignan B

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:
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 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