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CHEBI:181110 - Gelsemin

ChEBI IDCHEBI:181110
ChEBI NameGelsemin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22N2O2
Net Charge0
Average Mass322.408
Monoisotopic Mass322.16813
SMILESC=CC12CN(C)C3C4COC(CC41)C1(C(=O)Nc4ccccc41)C32
InChIInChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)
InChIKeyNFYYATWFXNPTRM-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)
Gelsemin (CHEBI:181110) is a indole alkaloid (CHEBI:38958)
IUPAC Name 
2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
Manual XrefsDatabases
245682ChemSpider