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CHEBI:208607 - Concavine

ChEBI IDCHEBI:208607
ChEBI NameConcavine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H35NO
Net Charge0
Average Mass329.528
Monoisotopic Mass329.27186
SMILESC=C1[C@H]2CC[C@]3(C2)[C@H](CN2CCOC(C)(C)C[C@H]23)[C@H]1CC=C(C)C
InChIInChI=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
InChIKeySZGQNXGUSQDIFW-OTVISBKVSA-N
Species of MetaboliteComponentSourceComments
Clitocybe (ncbitaxon:50966) - DOI (10.1016/j.tetlet.2005.09.064)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
78437370ChemSpider