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CHEBI:69547 - 7-demethoxyegonol-9(Z),12(Z)linoleate

ChEBI IDCHEBI:69547
ChEBI Name7-demethoxyegonol-9(Z),12(Z)linoleate
Stars
ASCII Name7-demethoxyegonol-9(Z),12(Z)linoleate
DefinitionA fatty acid ester that is egonol-9(Z),12(Z)linoleate in which the methoxy group at position 7 is replaced by a hydrogen. Isolated from the fruits of Styrax agrestis, it exhibits inhibitory activity against acetylcholinesterase.
Last Modified7 October 2019
DownloadsMolfile
FormulaC36H46O5
Net Charge0
Average Mass558.759
Monoisotopic Mass558.33452
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C36H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36(37)38-24-17-18-29-20-22-32-31(25-29)27-34(41-32)30-21-23-33-35(26-30)40-28-39-33/h6-7,9-10,20-23,25-27H,2-5,8,11-19,24,28H2,1H3/b7-6-,10-9-
InChIKeyAABHSZUTAUSICN-HZJYTTRNSA-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)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has functional parent egonol-9(Z),12(Z)linoleate (CHEBI:69546)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has functional parent linoleic acid (CHEBI:17351)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has parent hydride 1-benzofuran (CHEBI:35260)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) has role plant metabolite (CHEBI:76924)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) is a 1-benzofurans (CHEBI:38830)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) is a benzodioxoles (CHEBI:38298)
7-demethoxyegonol-9(Z),12(Z)linoleate (CHEBI:69547) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Name 
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propyl (9Z,12Z)-octadeca-9,12-dienoate
Registry NumbersSources
Reaxys:22007795Reaxys
Citations