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CHEBI:68094 - kopsinine

ChEBI IDCHEBI:68094
ChEBI Namekopsinine
Stars
DefinitionA natural product found in Kopsia grandifolia.
Last Modified22 September 2014
DownloadsMolfile
FormulaC21H26N2O2
Net Charge0
Average Mass338.451
Monoisotopic Mass338.19943
SMILES[H][C@]12N3CCC[C@]14CC[C@@]1(Nc5ccccc5[C@]21CC3)[C@H](C(=O)OC)C4
InChIInChI=1S/C21H26N2O2/c1-25-17(24)15-13-19-7-4-11-23-12-10-20(18(19)23)14-5-2-3-6-16(14)22-21(15,20)9-8-19/h2-3,5-6,15,18,22H,4,7-13H2,1H3/t15-,18-,19+,20+,21+/m0/s1
InChIKeyIYLRRIUNGGQRTN-NWRWZVFGSA-N
Species of MetaboliteComponentSourceComments
Kopsia grandifolia (IPNI:60436655-2) stem (BTO:0001300) PubMed (21428274) Previous component: stem bark; stembark extract
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
kopsinine (CHEBI:68094) has role metabolite (CHEBI:25212)
kopsinine (CHEBI:68094) is a indole alkaloid (CHEBI:38958)
Synonyms  Source
2,21-cycloaspidospermidine-3-carboxylic acid, methyl ester, (3beta,5alpha,12beta,19alpha)-ChEBI
Aspidofractinine-3-carboxylic acid, methyl ester,(2alpha,3beta,5alpha)-ChEBI
Registry NumbersSources
CAS:559-51-3ChemIDplus
Citations