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CHEBI:28981 - gentianine

ChEBI IDCHEBI:28981
ChEBI Namegentianine
Stars
Secondary ChEBI IDsCHEBI:5317, CHEBI:24213
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H9NO2
Net Charge0
Average Mass175.187
Monoisotopic Mass175.06333
SMILESC=Cc1cncc2c1CCOC2=O
InChIInChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2
InChIKeyDFNZYFAJQPLJFI-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
gentianine (CHEBI:28981) is a lactone (CHEBI:25000)
gentianine (CHEBI:28981) is a pyranopyridine (CHEBI:38192)
gentianine (CHEBI:28981) is a pyridine alkaloid (CHEBI:26416)
IUPAC Name 
5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one
Synonym  Source
4-(2-hydroxyethyl)-5-vinylnicotinic acid gamma-lactoneChemIDplus
Manual XrefsDatabases
C06525KEGG COMPOUND
C00001977KNApSAcK
Registry NumbersSources
Beilstein:137011Beilstein
CAS:439-89-4KEGG COMPOUND
CAS:439-89-4ChemIDplus