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CHEBI:3323 - Calligonine

ChEBI IDCHEBI:3323
ChEBI NameCalligonine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H14N2
Net Charge0
Average Mass186.258
Monoisotopic Mass186.11570
SMILESC[C@H]1NCCc2c1nc1ccccc21
InChIInChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1
InChIKeyLPIJOZBIVDCQTE-MRVPVSSYSA-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)
Calligonine (CHEBI:3323) is a harmala alkaloid (CHEBI:61379)
Synonyms  Source
CalligonineKEGG COMPOUND
ElaeagnineKEGG COMPOUND
TetrahydroharmanKEGG COMPOUND
Manual XrefsDatabases
C09089KEGG COMPOUND
C00001699KNApSAcK
Registry NumbersSources
CAS:2254-36-6KEGG COMPOUND
CAS:525-40-6KEGG COMPOUND