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CHEBI:69553 - egonolpropanoate

ChEBI IDCHEBI:69553
ChEBI Nameegonolpropanoate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of egonol with propionic acid. It has been isolated from the fruits of Styrax agrestis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC22H22O6
Net Charge0
Average Mass382.412
Monoisotopic Mass382.14164
SMILESCCC(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C22H22O6/c1-3-21(23)25-8-4-5-14-9-16-12-18(28-22(16)20(10-14)24-2)15-6-7-17-19(11-15)27-13-26-17/h6-7,9-12H,3-5,8,13H2,1-2H3
InChIKeyXDGRTOUNCQCWMA-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)
egonolpropanoate (CHEBI:69553) has functional parent egonol (CHEBI:69558)
egonolpropanoate (CHEBI:69553) has functional parent propionic acid (CHEBI:30768)
egonolpropanoate (CHEBI:69553) has parent hydride 1-benzofuran (CHEBI:35260)
egonolpropanoate (CHEBI:69553) has role plant metabolite (CHEBI:76924)
egonolpropanoate (CHEBI:69553) is a 1-benzofurans (CHEBI:38830)
egonolpropanoate (CHEBI:69553) is a aromatic ether (CHEBI:35618)
egonolpropanoate (CHEBI:69553) is a benzodioxoles (CHEBI:38298)
egonolpropanoate (CHEBI:69553) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propylpropanoate
Synonym  Source
5-(3-propanoyloxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuranChEBI
Registry NumbersSources
Reaxys:20716406Reaxys
Citations