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CHEBI:2215 - 6-methylergoline

ChEBI IDCHEBI:2215
ChEBI Name6-methylergoline
Stars
DefinitionAn ergoline alkaloid obtained by selective methylation of the N-6 position of ergoline.
Last Modified11 August 2011
DownloadsMolfile
FormulaC15H18N2
Net Charge0
Average Mass226.323
Monoisotopic Mass226.14700
SMILES[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])CCCN2C
InChIInChI=1S/C15H18N2/c1-17-7-3-5-11-12-4-2-6-13-15(12)10(9-16-13)8-14(11)17/h2,4,6,9,11,14,16H,3,5,7-8H2,1H3/t11-,14-/m1/s1
InChIKeyNNDATQSUZGLGQT-BXUZGUMPSA-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)
6-methylergoline (CHEBI:2215) has parent hydride ergoline (CHEBI:38484)
6-methylergoline (CHEBI:2215) is a ergoline alkaloid (CHEBI:60529)
Incoming Relation(s)
lysergic acid (CHEBI:6604) has parent hydride 6-methylergoline (CHEBI:2215)
IUPAC Name 
6-methylergoline
Synonyms  Source
6-MethylergolineKEGG COMPOUND
(−)-(5R,10R)-6-methylergolineChEBI
Manual XrefsDatabases
C07540KEGG COMPOUND
Registry NumbersSources
Beilstein:4461333Beilstein
Reaxys:4255779Reaxys
CAS:109922-46-5KEGG COMPOUND
Citations