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CHEBI:229203 - Trigonelline HCl

ChEBI IDCHEBI:229203
ChEBI NameTrigonelline HCl
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H8NO2.Cl
Net Charge0
Average Mass173.599
Monoisotopic Mass173.02436
SMILESC[n+]1cccc(C(=O)O)c1.[Cl-]
InChIInChI=1S/C7H7NO2.ClH/c1-8-4-2-3-6(5-8)7(9)10;/h2-5H,1H3;1H
InChIKeyTZSYLWAXZMNUJB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
Trigonelline HCl (CHEBI:229203) is a citraconoyl group (CHEBI:23315)
IUPAC Name 
1-methylpyridin-1-ium-3-carboxylic acid;chloride
Manual XrefsDatabases
118635ChemSpider