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CHEBI:67447 - ananolignan J

ChEBI IDCHEBI:67447
ChEBI Nameananolignan J
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma
Last Modified9 January 2014
DownloadsMolfile
FormulaC30H38O10
Net Charge0
Average Mass558.624
Monoisotopic Mass558.24650
SMILESCCC(C)C(=O)O[C@H]1c2cc3c(c(OC)c2-c2c(cc(OC)c(OC)c2OC)[C@H](OC(C)=O)[C@@H](C)[C@H]1C)OCO3
InChIInChI=1S/C30H38O10/c1-10-14(2)30(32)40-25-16(4)15(3)24(39-17(5)31)18-11-20(33-6)26(34-7)28(35-8)22(18)23-19(25)12-21-27(29(23)36-9)38-13-37-21/h11-12,14-16,24-25H,10,13H2,1-9H3/t14?,15-,16+,24+,25+/m0/s1
InChIKeyCTOBKBWNSSDQMA-BTZGXSAMSA-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 Role:
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 J (CHEBI:67447) has functional parent isovaleric acid (CHEBI:28484)
ananolignan J (CHEBI:67447) has role plant metabolite (CHEBI:76924)
ananolignan J (CHEBI:67447) is a acetate ester (CHEBI:47622)
ananolignan J (CHEBI:67447) is a aromatic ether (CHEBI:35618)
ananolignan J (CHEBI:67447) is a lignan (CHEBI:25036)
ananolignan J (CHEBI:67447) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan J (CHEBI:67447) 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 2-methylbutanoate
Registry NumbersSources
Reaxys:21534265Reaxys
Citations