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CHEBI:67379 - trans-methylferulate

ChEBI IDCHEBI:67379
ChEBI Nametrans-methylferulate
Stars
ASCII Nametrans-methylferulate
DefinitionA cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata.
Last Modified7 April 2017
DownloadsMolfile
FormulaC11H12O4
Net Charge0
Average Mass208.213
Monoisotopic Mass208.07356
SMILESCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
InChIKeyAUJXJFHANFIVKH-GQCTYLIASA-N
Species of MetaboliteComponentSourceComments
Pisonia aculeata (ncbitaxon:363212)
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
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)
trans-methylferulate (CHEBI:67379) has functional parent trans-ferulic acid (CHEBI:17620)
trans-methylferulate (CHEBI:67379) has role plant metabolite (CHEBI:76924)
trans-methylferulate (CHEBI:67379) is a cinnamate ester (CHEBI:36087)
trans-methylferulate (CHEBI:67379) is a guaiacols (CHEBI:134251)
trans-methylferulate (CHEBI:67379) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Synonyms  Source
4-hydroxy-3-methoxy-cinnamic acid methyl esterChemIDplus
methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)acrylateChEBI
3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid methyl esterChemIDplus
Methyl ferulateChemIDplus
Registry NumbersSources
Reaxys:2731141Reaxys
CAS:2309-07-1ChemIDplus
Citations