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CHEBI:9911 - Usambarine

ChEBI IDCHEBI:9911
ChEBI NameUsambarine
Stars
Last Modified19 December 2018
DownloadsMolfile
FormulaC30H34N4
Net Charge0
Average Mass450.630
Monoisotopic Mass450.27835
SMILES[H][C@]1(C[C@@]2([H])c3nc4ccccc4c3CCN2C)C[C@@]2([H])c3nc4ccccc4c3CCN2C[C@@H]1C=C
InChIInChI=1S/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3/t19-,20-,27-,28-/m0/s1
InChIKeyJICXOAIUPFUZPK-DXBSEXLMSA-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)
Usambarine (CHEBI:9911) is a harmala alkaloid (CHEBI:61379)
Synonym  Source
UsambarineKEGG COMPOUND
Manual XrefsDatabases
C09250KEGG COMPOUND
C00001780KNApSAcK
Registry NumbersSources
CAS:35226-29-0KEGG COMPOUND