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CHEBI:175016 - Di-4-coumaroylputrescine

ChEBI IDCHEBI:175016
ChEBI NameDi-4-coumaroylputrescine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O4
Net Charge0
Average Mass380.444
Monoisotopic Mass380.17361
SMILESO=C(/C=C/c1ccc(O)cc1)NCCCCNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+
InChIKeyPYVBFDCHJDMSMM-FNCQTZNRSA-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)
Di-4-coumaroylputrescine (CHEBI:175016) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(4-hydroxyphenyl)-N-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
Manual XrefsDatabases
30777007ChemSpider
HMDB0033466HMDB
Registry NumbersSources
CAS:364048-94-2ChemIDplus