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CHEBI:221707 - Costaclavine

ChEBI IDCHEBI:221707
ChEBI NameCostaclavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2
Net Charge0
Average Mass240.350
Monoisotopic Mass240.16265
SMILESC[C@@H]1C[C@H]2c3cccc4ncc(c34)C[C@H]2N(C)C1
InChIInChI=1S/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13+,15-/m1/s1
InChIKeyVLMZMRDOMOGGFA-RIEGTJTDSA-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)
Costaclavine (CHEBI:221707) is a alkaloid (CHEBI:22315)
IUPAC Name 
(6aR,9R,10aS)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-g]quinoline
Manual XrefsDatabases
141006ChemSpider