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CHEBI:5294 - Gelsemine

ChEBI IDCHEBI:5294
ChEBI NameGelsemine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22N2O2
Net Charge0
Average Mass322.408
Monoisotopic Mass322.16813
SMILES[H][C@@]12[C@@]3(C=C)CN(C)[C@]1([H])[C@H]1CO[C@H](CC13)[C@]21C(=O)Nc2ccccc21
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)/t11-,13?,15+,16+,17-,19-,20-/m0/s1
InChIKeyNFYYATWFXNPTRM-ICFOCEFXSA-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)
Gelsemine (CHEBI:5294) is a indole alkaloid (CHEBI:38958)
Synonym  Source
GelsemineKEGG COMPOUND
Manual XrefsDatabases
C09207KEGG COMPOUND
C00001734KNApSAcK
Registry NumbersSources
CAS:509-15-9KEGG COMPOUND