EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2888 - Aspidospermatine

ChEBI IDCHEBI:2888
ChEBI NameAspidospermatine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H26N2O2
Net Charge0
Average Mass338.451
Monoisotopic Mass338.19943
SMILES[H][C@@]12CCN3CC[C@]4(c5cccc(OC)c5N(C(C)=O)[C@]4([H])C1)[C@@]3([H])/C2=C/C
InChIInChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+/t14-,18-,20-,21-/m1/s1
InChIKeyCCNTUVFHVFQEJI-ULBRXFQASA-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)
Aspidospermatine (CHEBI:2888) is a alkaloid (CHEBI:22315)
Synonym  Source
AspidospermatineKEGG COMPOUND
Manual XrefsDatabases
C09041KEGG COMPOUND
Registry NumbersSources
CAS:5794-14-9KEGG COMPOUND