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CHEBI:173781 - 4-Coumaroyl-2-hydroxyputrescine

ChEBI IDCHEBI:173781
ChEBI Name4-Coumaroyl-2-hydroxyputrescine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18N2O3
Net Charge0
Average Mass250.298
Monoisotopic Mass250.13174
SMILESNCCC(O)CNC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C13H18N2O3/c14-8-7-12(17)9-15-13(18)6-3-10-1-4-11(16)5-2-10/h1-6,12,16-17H,7-9,14H2,(H,15,18)/b6-3+
InChIKeyXBVRGBGSLROQIA-ZZXKWVIFSA-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)
4-Coumaroyl-2-hydroxyputrescine (CHEBI:173781) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-N-(4-amino-2-hydroxybutyl)-3-(4-hydroxyphenyl)prop-2-enamide
Manual XrefsDatabases
35013608ChemSpider
HMDB0033462HMDB