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CHEBI:67444 - ananolignan G

ChEBI IDCHEBI:67444
ChEBI Nameananolignan G
Stars
DefinitionA lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.
Last Modified9 January 2014
DownloadsMolfile
FormulaC28H34O10
Net Charge0
Average Mass530.570
Monoisotopic Mass530.21520
SMILESCCC(=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/C28H34O10/c1-9-20(30)38-24-14(3)13(2)23(37-15(4)29)16-10-18(31-5)25(32-6)27(33-7)21(16)22-17(24)11-19-26(28(22)34-8)36-12-35-19/h10-11,13-14,23-24H,9,12H2,1-8H3/t13-,14+,23+,24+/m0/s1
InChIKeyOHMVGFVPDINACF-XKEUNKRLSA-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 G (CHEBI:67444) has role plant metabolite (CHEBI:76924)
ananolignan G (CHEBI:67444) is a acetate ester (CHEBI:47622)
ananolignan G (CHEBI:67444) is a aromatic ether (CHEBI:35618)
ananolignan G (CHEBI:67444) is a lignan (CHEBI:25036)
ananolignan G (CHEBI:67444) is a organic heterotetracyclic compound (CHEBI:38163)
ananolignan G (CHEBI:67444) is a oxacycle (CHEBI:38104)
ananolignan G (CHEBI:67444) is a propanoate ester (CHEBI:36243)
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 propionate
Registry NumbersSources
Reaxys:21534263Reaxys
Citations