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CHEBI:91831 - 2-(4-bromophenyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester

ChEBI IDCHEBI:91831
ChEBI Name2-(4-bromophenyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
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DownloadsMolfile
FormulaC17H22BrNO2
Net Charge0
Average Mass352.272
Monoisotopic Mass351.08339
SMILESCC(C(=O)OC1CC2CCC(C1)N2C)c1ccc(Br)cc1
InChIInChI=1S/C17H22BrNO2/c1-11(12-3-5-13(18)6-4-12)17(20)21-16-9-14-7-8-15(10-16)19(14)2/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyGHDWIFTUSXQYGK-UHFFFAOYSA-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)
2-(4-bromophenyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester (CHEBI:91831) is a tropane alkaloid (CHEBI:37332)
Manual XrefsDatabases
LSM-1747LINCS