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CHEBI:78758 - propyl dihydroferulate

ChEBI IDCHEBI:78758
ChEBI Namepropyl dihydroferulate
Stars
DefinitionA carboxylic ester that is the propyl ester of dihydroferulic acid.
Last Modified10 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCCCOC(=O)CCc1ccc(O)c(OC)c1
InChIInChI=1S/C13H18O4/c1-3-8-17-13(15)7-5-10-4-6-11(14)12(9-10)16-2/h4,6,9,14H,3,5,7-8H2,1-2H3
InChIKeySPWKTSDNFHMAMM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
propyl dihydroferulate (CHEBI:78758) has functional parent 3-phenylpropionic acid (CHEBI:28631)
propyl dihydroferulate (CHEBI:78758) is a aromatic ester (CHEBI:62732)
propyl dihydroferulate (CHEBI:78758) is a carboxylic ester (CHEBI:33308)
propyl dihydroferulate (CHEBI:78758) is a phenols (CHEBI:33853)
IUPAC Name 
propyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
Registry NumbersSources
Reaxys:2811999Reaxys