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CHEBI:182503 - 6-Methyl-9,10-didehydroergoline-8-carboxylic acid

ChEBI IDCHEBI:182503
ChEBI Name6-Methyl-9,10-didehydroergoline-8-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16N2O2
Net Charge0
Average Mass268.316
Monoisotopic Mass268.12118
SMILES[H][C@@]12Cc3cnc4cccc(c34)C1=CC(C(=O)O)CN2C
InChIInChI=1S/C16H16N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20)/t10?,14-/m1/s1
InChIKeyZAGRKAFMISFKIO-LNUXAPHWSA-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-Methyl-9,10-didehydroergoline-8-carboxylic acid (CHEBI:182503) has functional parent lysergic acid (CHEBI:6604)
6-Methyl-9,10-didehydroergoline-8-carboxylic acid (CHEBI:182503) is a ergoline alkaloid (CHEBI:60529)
IUPAC Name 
(6aR)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-g]quinoline-9-carboxylic acid
Manual XrefsDatabases
390048ChemSpider
C07541KEGG COMPOUND