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CHEBI:116781 - 3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-oxo-2-(2-phenylethylamino)ethyl] ester

ChEBI IDCHEBI:116781
ChEBI Name3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-oxo-2-(2-phenylethylamino)ethyl] ester
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DownloadsMolfile
FormulaC22H25NO6
Net Charge0
Average Mass399.443
Monoisotopic Mass399.16819
SMILESCOc1cc(C=CC(=O)OCC(=O)NCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H25NO6/c1-26-18-13-17(14-19(27-2)22(18)28-3)9-10-21(25)29-15-20(24)23-12-11-16-7-5-4-6-8-16/h4-10,13-14H,11-12,15H2,1-3H3,(H,23,24)
InChIKeyMWDAWGRNAJTQCS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [2-oxo-2-(2-phenylethylamino)ethyl] ester (CHEBI:116781) is a hydroxycinnamic acid (CHEBI:24689)
Manual XrefsDatabases
LSM-28233LINCS