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CHEBI:172496 - (+)-Setoclavine

ChEBI IDCHEBI:172496
ChEBI Name(+)-Setoclavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N2O
Net Charge0
Average Mass254.333
Monoisotopic Mass254.14191
SMILESCN1CC(C)(O)C=C2c3cccc4ncc(c34)CC21
InChIInChI=1S/C16H18N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,7-8,14,17,19H,6,9H2,1-2H3
InChIKeyBGVUWLLRNRBDAY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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)
(+)-Setoclavine (CHEBI:172496) is a alkaloid (CHEBI:22315)
IUPAC Name 
7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-g]quinolin-9-ol
Manual XrefsDatabases
8236438ChemSpider
HMDB0033428HMDB