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CHEBI:5293 - Gelsemicine

Default Structure
ChEBI IDCHEBI:5293
ChEBI NameGelsemicine
Stars
Last Modified26 October 2017
DownloadsMolfile
FormulaC20H26N2O4
Net Charge0
Average Mass358.438
Monoisotopic Mass358.18926
SMILES[H][C@]12CO[C@@H]3C[C@H]1[C@@H](CC)N[C@@]2([H])C[C@@]31C(=O)N(OC)c2cc(OC)ccc21
InChIInChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/t12-,13+,15-,16+,18-,20+/m1/s1
InChIKeyRIHQHYIWKHVLRH-XKTBTPLDSA-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)
Gelsemicine (CHEBI:5293) is a indole alkaloid (CHEBI:38958)
Synonym  Source
GelsemicineKEGG COMPOUND
Manual XrefsDatabases
C00001733KNApSAcK
C09203KEGG COMPOUND
Registry NumbersSources
CAS:6887-28-1KEGG COMPOUND