Concavine (CHEBI:208607)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Concavine

ChEBI ID	CHEBI:208607

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H35NO

Net Charge

Average Mass

329.528

Monoisotopic Mass

329.27186

InChI

InChI=1S/C22H35NO/c1-15(2)6-7-18-16(3)17-8-9-22(12-17)19(18)14-23-10-11-24-21(4,5)13-20(22)23/h6,17-20H,3,7-14H2,1-2,4-5H3/t17-,18-,19+,20-,22-/m0/s1

InChIKey

SZGQNXGUSQDIFW-OTVISBKVSA-N

SMILES

O1C(C[C@H]2[C@]34[C@@H]([C@H](C(=C)[C@H](C3)CC4)CC=C(C)C)CN2CC1)(C)C

Metabolite of Species	Details
Clitocybe (NCBI:txid50966)	See: DOI

ChEBI Ontology
Outgoing	Concavine (CHEBI:208607) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(1S,2S,10R,11R,13S)-4,4-dimethyl-11-(3-methylbut-2-enyl)-12-methylidene-5-oxa-8-azatetracyclo[11.2.1.01,10.02,8]hexadecane