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CHEBI:201857 - N-Methylcanadium (iodide)

ChEBI IDCHEBI:201857
ChEBI NameN-Methylcanadium (iodide)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24NO4.I
Net Charge0
Average Mass481.330
Monoisotopic Mass481.07501
SMILESCOc1ccc2c(c1OC)C[N+]1(C)CCc3cc4c(cc3C1C2)OCO4.[I-]
InChIInChI=1S/C21H24NO4.HI/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22;/h4-5,9-10,17H,6-8,11-12H2,1-3H3;1H/q+1;/p-1
InChIKeyAZXUCIMPDKYWNT-UHFFFAOYSA-M
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)
N-Methylcanadium (iodide) (CHEBI:201857) is a alkaloid (CHEBI:22315)
IUPAC Name 
(1S)-16,17-dimethoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene;iodide
Manual XrefsDatabases
103846907ChemSpider