(+)-Setoclavine (CHEBI:172496)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(+)-Setoclavine

ChEBI ID	CHEBI:172496

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H18N2O

Net Charge

Average Mass

254.333

Monoisotopic Mass

254.14191

InChI

InChI=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

InChIKey

BGVUWLLRNRBDAY-UHFFFAOYSA-N

SMILES

OC1(CN(C2C(C3=C4C(C2)=CNC4=CC=C3)=C1)C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	(+)-Setoclavine (CHEBI:172496) is a alkaloid (CHEBI:22315)

IUPAC Name

7,9-dimethyl-4,6,6a,8-tetrahydroindolo[4,3-g]quinolin-9-ol