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CHEBI:69550 - egonol-2'''-methyl butanoate

ChEBI IDCHEBI:69550
ChEBI Nameegonol-2'''-methyl butanoate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of (S)-2-methylbutyric acid with egonol. It has been isolated from the fruits of Styrax agrestis.
Last Modified9 January 2014
DownloadsMolfile
FormulaC24H26O6
Net Charge0
Average Mass410.466
Monoisotopic Mass410.17294
SMILESCC[C@H](C)C(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C24H26O6/c1-4-15(2)24(25)27-9-5-6-16-10-18-13-20(30-23(18)22(11-16)26-3)17-7-8-19-21(12-17)29-14-28-19/h7-8,10-13,15H,4-6,9,14H2,1-3H3/t15-/m0/s1
InChIKeyMGCSMWCSVJYFBV-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Styrax agrestis (ncbitaxon:153522) ripe fruit (PO:0007038) PubMed (21939219) Dried, powdered fruits were extracted with ethylacetate.
Styrax obassia (ncbitaxon:153542) - PubMed (21939219)
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)
egonol-2'''-methyl butanoate (CHEBI:69550) has functional parent (S)-2-methylbutyric acid (CHEBI:38655)
egonol-2'''-methyl butanoate (CHEBI:69550) has functional parent egonol (CHEBI:69558)
egonol-2'''-methyl butanoate (CHEBI:69550) has parent hydride 1-benzofuran (CHEBI:35260)
egonol-2'''-methyl butanoate (CHEBI:69550) has role plant metabolite (CHEBI:76924)
egonol-2'''-methyl butanoate (CHEBI:69550) is a 1-benzofurans (CHEBI:38830)
egonol-2'''-methyl butanoate (CHEBI:69550) is a aromatic ether (CHEBI:35618)
egonol-2'''-methyl butanoate (CHEBI:69550) is a benzodioxoles (CHEBI:38298)
egonol-2'''-methyl butanoate (CHEBI:69550) is a fatty acid ester (CHEBI:35748)
Incoming Relation(s)
7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) has functional parent egonol-2'''-methyl butanoate (CHEBI:69550)
IUPAC Name 
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl (2S)-2-methylbutanoate
Registry NumbersSources
Reaxys:22007790Reaxys
Citations