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CHEBI:8813 - Retamine

ChEBI IDCHEBI:8813
ChEBI NameRetamine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H26N2O
Net Charge0
Average Mass250.386
Monoisotopic Mass250.20451
SMILES[H][C@@]12[C@@H]3C[C@H](CN1CCC[C@@H]2O)[C@]1([H])CCCCN1C3
InChIInChI=1S/C15H26N2O/c18-14-5-3-7-17-9-11-8-12(15(14)17)10-16-6-2-1-4-13(11)16/h11-15,18H,1-10H2/t11?,12?,13-,14-,15-/m0/s1
InChIKeyJMXNBIDTNISOTA-HGSUQPQSSA-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)
Retamine (CHEBI:8813) is a quinolizidine alkaloid (CHEBI:26515)
Synonym  Source
RetamineKEGG COMPOUND
Manual XrefsDatabases
C10780KEGG COMPOUND
C00002233KNApSAcK
Registry NumbersSources
CAS:2122-29-4KEGG COMPOUND