CHEBI:69550 - egonol-2ʼʼʼ-methyl butanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name egonol-2ʼʼʼ-methyl butanoate
ChEBI ID CHEBI:69550
ChEBI ASCII Name egonol-2'''-methyl butanoate
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000013484802
Download Molfile XML SDF
Formula C24H26O6
Net Charge 0
Average Mass 410.45960
Monoisotopic Mass 410.17294
InChI InChI=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
InChIKey MGCSMWCSVJYFBV-HNNXBMFYSA-N
SMILES CC[C@H](C)C(=O)OCCCc1cc(OC)c2oc(cc2c1)-c1ccc2OCOc2c1
Metabolite of Species Details
Styrax agrestis (NCBI:txid153522) Found in ripe fruit (PO:0007038). Dried, powdered fruits were extracted with ethylacetate. See: PubMed
Styrax obassia (NCBI:txid153542) See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) has functional parent (S)-2-methylbutyric acid (CHEBI:38655)
egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) has functional parent egonol (CHEBI:69558)
egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) has parent hydride 1-benzofuran (CHEBI:35260)
egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) has role plant metabolite (CHEBI:76924)
egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) is a 1-benzofurans (CHEBI:38830)
egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) is a aromatic ether (CHEBI:35618)
egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) is a benzodioxoles (CHEBI:38298)
egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550) is a fatty acid ester (CHEBI:35748)
Incoming 7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) has functional parent egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propyl (2S)-2-methylbutanoate
Registry Number Type Source
22007790 Reaxys Registry Number Reaxys
Citation
Last Modified
09 January 2014