CHEBI:5315 - Gentianaine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Gentianaine
ChEBI ID CHEBI:5315
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C6H7NO3
Net Charge 0
Average Mass 141.125
Monoisotopic Mass 141.04259
InChI InChI=1S/C6H7NO3/c7-3-4-5(8)1-2-10-6(4)9/h3H,1-2,7H2/b4-3+
InChIKey JCVFDMOXFXJTSJ-ONEGZZNKSA-N
SMILES N\C=C1/C(=O)CCOC1=O
ChEBI Ontology
Outgoing Gentianaine (CHEBI:5315) is a δ-lactone (CHEBI:18946)
Synonym Source
Gentianaine KEGG COMPOUND
Manual Xrefs Databases
C00001975 KNApSAcK
C09960 KEGG COMPOUND
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Registry Number Type Source
58213-76-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014