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CHEBI:3331 - Calpurnine

ChEBI IDCHEBI:3331
ChEBI NameCalpurnine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H27N3O3
Net Charge0
Average Mass357.454
Monoisotopic Mass357.20524
SMILES[H][C@@]12C[C@@H](OC(=O)c3cccn3)CCN1C[C@@H]1C[C@H]2CN2C(=O)CCC[C@]12[H]
InChIInChI=1S/C20H27N3O3/c24-19-5-1-4-17-13-9-14(12-23(17)19)18-10-15(6-8-22(18)11-13)26-20(25)16-3-2-7-21-16/h2-3,7,13-15,17-18,21H,1,4-6,8-12H2/t13?,14?,15-,17+,18-/m0/s1
InChIKeyYFRYJFMFQOBOSY-CMQLYVPTSA-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)
Calpurnine (CHEBI:3331) is a quinolizidine alkaloid (CHEBI:26515)
Synonyms  Source
CalpurnineKEGG COMPOUND
Hoe 933KEGG COMPOUND
Manual XrefsDatabases
C10757KEGG COMPOUND
C00002214KNApSAcK
Registry NumbersSources
CAS:6874-80-2KEGG COMPOUND