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CHEBI:174826 - 6-allyl-8b-Carboxy-ergoline

ChEBI IDCHEBI:174826
ChEBI Name6-allyl-8b-Carboxy-ergoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20N2O2
Net Charge0
Average Mass296.370
Monoisotopic Mass296.15248
SMILES[H][C@@]12CC(C(=O)O)CN(CC=C)[C@@]1([H])Cc1cnc3cccc2c13
InChIInChI=1S/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12?,14-,16-/m0/s1
InChIKeyYAICYXFUKKMAKO-DBQWNMKUSA-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-allyl-8b-Carboxy-ergoline (CHEBI:174826) has functional parent lysergic acid (CHEBI:6604)
6-allyl-8b-Carboxy-ergoline (CHEBI:174826) is a ergoline alkaloid (CHEBI:60529)
IUPAC Name 
(6aS,10aS)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinoline-9-carboxylic acid
Manual XrefsDatabases
HMDB0060782HMDB
35031786ChemSpider