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CHEBI:69555 - egonolbutanoate

ChEBI IDCHEBI:69555
ChEBI Nameegonolbutanoate
Stars
DefinitionA butanoate ester of egonol isolated from the fruits of Styrax agrestis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC23H24O6
Net Charge0
Average Mass396.439
Monoisotopic Mass396.15729
SMILESCCCC(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C23H24O6/c1-3-5-22(24)26-9-4-6-15-10-17-13-19(29-23(17)21(11-15)25-2)16-7-8-18-20(12-16)28-14-27-18/h7-8,10-13H,3-6,9,14H2,1-2H3
InChIKeyZIUFRHWVDXFFEI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Styrax agrestis (ncbitaxon:153522) ripe fruit (PO:0007038) PubMed (21939219) Dried, powdered fruits were extracted with ethylacetate.
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)
egonolbutanoate (CHEBI:69555) has functional parent egonol (CHEBI:69558)
egonolbutanoate (CHEBI:69555) has parent hydride 1-benzofuran (CHEBI:35260)
egonolbutanoate (CHEBI:69555) has role plant metabolite (CHEBI:76924)
egonolbutanoate (CHEBI:69555) is a 1-benzofurans (CHEBI:38830)
egonolbutanoate (CHEBI:69555) is a aromatic ether (CHEBI:35618)
egonolbutanoate (CHEBI:69555) is a benzodioxoles (CHEBI:38298)
egonolbutanoate (CHEBI:69555) is a butyrate ester (CHEBI:50477)
egonolbutanoate (CHEBI:69555) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl butanoate
Synonym  Source
5-(3-butanoyloxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuranChEBI
Registry NumbersSources
Reaxys:10384634Reaxys
Citations