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CHEBI:802 - 19-epi-Cathenamine

ChEBI IDCHEBI:802
ChEBI Name19-epi-Cathenamine
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC21H22N2O3
Net Charge0
Average Mass350.418
Monoisotopic Mass350.16304
SMILES[H][C@]12C[C@@]3([H])c4nc5ccccc5c4CCN3C=C1[C@@H](C)OC=C2C(=O)OC
InChIInChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15+,19+/m1/s1
InChIKeyBXTHVTLKWJZGAA-YFROIQMUSA-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)
19-epi-Cathenamine (CHEBI:802) is a methyl ester (CHEBI:25248)
19-epi-Cathenamine (CHEBI:802) is a yohimban alkaloid (CHEBI:27358)
Synonym  Source
19-epi-CathenamineKEGG COMPOUND
Manual XrefsDatabases
C11681KEGG COMPOUND
Registry NumbersSources
CAS:73326-87-1KEGG COMPOUND