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CHEBI:28463 - aspidospermine

ChEBI IDCHEBI:28463
ChEBI Nameaspidospermine
Stars
DefinitionAn indole alkaloid having the structure of aspirospermidine methoxylated at C-17 and acetylated at N-1.
Secondary ChEBI IDsCHEBI:2889, CHEBI:22665
Last Modified28 July 2014
DownloadsMolfile
FormulaC22H30N2O2
Net Charge0
Average Mass354.494
Monoisotopic Mass354.23073
SMILES[H][C@@]12N3CCC[C@]1(CC)CC[C@@]1([H])N(C(C)=O)c4c(OC)cccc4[C@@]21CC3
InChIInChI=1S/C22H30N2O2/c1-4-21-10-6-13-23-14-12-22(20(21)23)16-7-5-8-17(26-3)19(16)24(15(2)25)18(22)9-11-21/h5,7-8,18,20H,4,6,9-14H2,1-3H3/t18-,20-,21-,22-/m1/s1
InChIKeyARQOGCYMPUOVHK-ZHHKINOHSA-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)
aspidospermine (CHEBI:28463) has parent hydride aspidospermidine (CHEBI:38486)
aspidospermine (CHEBI:28463) is a indole alkaloid (CHEBI:38958)
IUPAC Name 
1-(17-methoxyaspidospermidin-1-yl)ethanone
Synonyms  Source
AspidospermineKEGG COMPOUND
(-)-AspidospermineChemIDplus
1-Acetyl-17-methoxyaspidospermidineChemIDplus
Manual XrefsDatabases
C09042KEGG COMPOUND
C00024452KNApSAcK
C00024465KNApSAcK
Registry NumbersSources
Reaxys:48882Reaxys
CAS:466-49-9KEGG COMPOUND
CAS:466-49-9ChemIDplus
Citations