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CHEBI:3174 - Brevicolline

ChEBI IDCHEBI:3174
ChEBI NameBrevicolline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H19N3
Net Charge0
Average Mass265.360
Monoisotopic Mass265.15790
SMILES[H][C@@]1(c2cnc(C)c3nc4ccccc4c23)CCCN1C
InChIInChI=1S/C17H19N3/c1-11-17-16(12-6-3-4-7-14(12)19-17)13(10-18-11)15-8-5-9-20(15)2/h3-4,6-7,10,15,19H,5,8-9H2,1-2H3/t15-/m0/s1
InChIKeyDIZAFWUMCZPYGF-HNNXBMFYSA-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)
Brevicolline (CHEBI:3174) is a harmala alkaloid (CHEBI:61379)
Synonym  Source
BrevicollineKEGG COMPOUND
Manual XrefsDatabases
C09083KEGG COMPOUND
C00001694KNApSAcK
Registry NumbersSources
CAS:20069-02-7KEGG COMPOUND