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CHEBI:86599 - coniferyl p-coumarate

ChEBI IDCHEBI:86599
ChEBI Nameconiferyl p-coumarate
Stars
ASCII Nameconiferyl p-coumarate
DefinitionA cinnamate ester obtained by the formal condensation of the hydroxy of coniferol with the carboxy group of trans-4-coumaric acid.
Last Modified7 April 2017
DownloadsMolfile
FormulaC19H18O5
Net Charge0
Average Mass326.348
Monoisotopic Mass326.11542
SMILESCOc1cc(/C=C/COC(=O)/C=C/c2ccc(O)cc2)ccc1O
InChIInChI=1S/C19H18O5/c1-23-18-13-15(6-10-17(18)21)3-2-12-24-19(22)11-7-14-4-8-16(20)9-5-14/h2-11,13,20-21H,12H2,1H3/b3-2+,11-7+
InChIKeyUPNLRNQUIJXYPN-LFWRRJNUSA-N
ChEBI Ontology
Outgoing Relation(s)
coniferyl p-coumarate (CHEBI:86599) has functional parent trans-4-coumaric acid (CHEBI:32374)
coniferyl p-coumarate (CHEBI:86599) has functional parent coniferol (CHEBI:17745)
coniferyl p-coumarate (CHEBI:86599) is a cinnamate ester (CHEBI:36087)
coniferyl p-coumarate (CHEBI:86599) is a guaiacols (CHEBI:134251)
IUPAC Name 
(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
Registry NumbersSources
Reaxys:7649308Reaxys