CHEBI:5979 - Isoajmaline

ChEBI IDCHEBI:5979
ChEBI NameIsoajmaline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H26N2O2
Net Charge0
Average Mass326.440
Monoisotopic Mass326.19943
SMILES[H][C@@]12N(C)c3ccccc3[C@]13C[C@@]1([H])C([C@H]4C[C@]2([H])N1[C@@H](O)[C@@H]4CC)[C@H]3O
InChIInChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11+,14+,15+,16?,17+,18-,19+,20-/m1/s1
InChIKeyCJDRUOGAGYHKKD-JZQIZOIBSA-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)
Isoajmaline (CHEBI:5979) is a indole alkaloid (CHEBI:38958)
Synonym  Source
IsoajmalineKEGG COMPOUND
Manual XrefsDatabases
C00024344KNApSAcK
C09217KEGG COMPOUND
Registry NumbersSources
CAS:6989-79-3KEGG COMPOUND