CHEBI:69551 - 7-demethoxylegonol-2-methylbutanoate

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ChEBI Name 7-demethoxylegonol-2-methylbutanoate
ChEBI ID CHEBI:69551
Definition A fatty acid ester that is egonol-2ʼʼʼ-methyl butanoate in which the methoxy group at position 7 is replaced by a hydrogen. It has been isolated from the fruits of Styrax agrestis and Styrax obassia.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H24O5
Net Charge 0
Average Mass 380.43370
Monoisotopic Mass 380.16237
InChI InChI=1S/C23H24O5/c1-3-15(2)23(24)25-10-4-5-16-6-8-19-18(11-16)13-21(28-19)17-7-9-20-22(12-17)27-14-26-20/h6-9,11-13,15H,3-5,10,14H2,1-2H3/t15-/m0/s1
InChIKey MBOVWBBJDJPNSN-HNNXBMFYSA-N
SMILES CC[C@H](C)C(=O)OCCCc1ccc2oc(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 7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) has functional parent egonol-2ʼʼʼ-methyl butanoate (CHEBI:69550)
7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) has parent hydride 1-benzofuran (CHEBI:35260)
7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) has role plant metabolite (CHEBI:76924)
7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) is a 1-benzofurans (CHEBI:38830)
7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) is a benzodioxoles (CHEBI:38298)
7-demethoxylegonol-2-methylbutanoate (CHEBI:69551) is a fatty acid ester (CHEBI:35748)
IUPAC Name
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl (2S)-2-methylbutanoate
Registry Number Type Source
22007789 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21939219 PubMed citation Europe PMC
Last Modified
09 January 2014