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CHEBI:176347 - Caffeoyltryptamine

ChEBI IDCHEBI:176347
ChEBI NameCaffeoyltryptamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18N2O3
Net Charge0
Average Mass322.364
Monoisotopic Mass322.13174
SMILESO=C(/C=C/c1ccc(O)c(O)c1)NCCc1cnc2ccccc12
InChIInChI=1S/C19H18N2O3/c22-17-7-5-13(11-18(17)23)6-8-19(24)20-10-9-14-12-21-16-4-2-1-3-15(14)16/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-6+
InChIKeyLNKPAQNDSCOUPS-SOFGYWHQSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) leaf (BTO:0000713) MetaboLights (MTBLS2566)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Caffeoyltryptamine (CHEBI:176347) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(3,4-dihydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
Manual XrefsDatabases
20578958ChemSpider