CHEBI:28981 - gentianine

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ChEBI Name gentianine
ChEBI ID CHEBI:28981
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5317, CHEBI:24213
Supplier Information
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Formula C10H9NO2
Net Charge 0
Average Mass 175.18400
Monoisotopic Mass 175.063
InChI InChI=1S/C10H9NO2/c1-2-7-5-11-6-9-8(7)3-4-13-10(9)12/h2,5-6H,1,3-4H2
InChIKey DFNZYFAJQPLJFI-UHFFFAOYSA-N
SMILES C=Cc1cncc2C(=O)OCCc12
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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-lactone ChemIDplus
Database Links Databases
C00001977 KNApSAcK
C06525 KEGG COMPOUND
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Registry Numbers Types Sources
137011 Beilstein Registry Number Beilstein
439-89-4 CAS Registry Number KEGG COMPOUND
439-89-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014