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CHEBI:66231 - tianshic acid methyl ester

ChEBI IDCHEBI:66231
ChEBI Nametianshic acid methyl ester
Stars
DefinitionA fatty acid methyl ester of tianshic acid. It has been isolated from the stems of Sambucus williamsii.
Last Modified25 November 2014
DownloadsMolfile
FormulaC19H36O5
Net Charge0
Average Mass344.492
Monoisotopic Mass344.25627
SMILESCCCCCCC(O)C(O)/C=C/C(O)CCCCCCC(=O)OC
InChIInChI=1S/C19H36O5/c1-3-4-5-9-12-17(21)18(22)15-14-16(20)11-8-6-7-10-13-19(23)24-2/h14-18,20-22H,3-13H2,1-2H3/b15-14+
InChIKeyVAGGDCACZPJMFS-CCEZHUSRSA-N
Species of MetaboliteComponentSourceComments
Sambucus williamsii (ncbitaxon:180062) stem (BTO:0001300) PubMed (16651764)
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)
tianshic acid methyl ester (CHEBI:66231) has role plant metabolite (CHEBI:76924)
tianshic acid methyl ester (CHEBI:66231) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl (9E)-8,11,12-trihydroxyoctadec-9-enoate
Citations