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CHEBI:169029 - Coumaperine

ChEBI IDCHEBI:169029
ChEBI NameCoumaperine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H19NO2
Net Charge0
Average Mass257.333
Monoisotopic Mass257.14158
SMILESO=C(/C=C/C=C/c1ccc(O)cc1)N1CCCCC1
InChIInChI=1S/C16H19NO2/c18-15-10-8-14(9-11-15)6-2-3-7-16(19)17-12-4-1-5-13-17/h2-3,6-11,18H,1,4-5,12-13H2/b6-2+,7-3+
InChIKeyQDAARMDLSCDBFU-YPCIICBESA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Coumaperine (CHEBI:169029) is a N-acylpiperidine (CHEBI:48591)
IUPAC Name 
(2E,4E)-5-(4-hydroxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
Manual XrefsDatabases
8306836ChemSpider
Registry NumbersSources
CAS:76733-91-0ChemIDplus