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CHEBI:182653 - 1-Methoxygelsemine

ChEBI IDCHEBI:182653
ChEBI Name1-Methoxygelsemine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N2O3
Net Charge0
Average Mass352.434
Monoisotopic Mass352.17869
SMILESC=CC12CN(C)C3C4COC(CC41)C1(C(=O)N(OC)c4ccccc41)C32
InChIInChI=1S/C21H24N2O3/c1-4-20-11-22(2)17-12-10-26-16(9-14(12)20)21(18(17)20)13-7-5-6-8-15(13)23(25-3)19(21)24/h4-8,12,14,16-18H,1,9-11H2,2-3H3
InChIKeySSSCMFCWHWCCEH-UHFFFAOYSA-N
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)
1-Methoxygelsemine (CHEBI:182653) is a indole alkaloid (CHEBI:38958)
IUPAC Name 
2-ethenyl-1'-methoxy-4-methylspiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2'-one
Manual XrefsDatabases
4590616ChemSpider