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CHEBI:94847 - 3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester

ChEBI IDCHEBI:94847
ChEBI Name3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
Stars
DownloadsMolfile
FormulaC18H26NO3
Net Charge+1
Average Mass304.410
Monoisotopic Mass304.19072
SMILESC[N+]1(C)C2CC[C@H]1CC(OC(=O)C(CO)c1ccccc1)C2
InChIInChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15?,16?,17?/m0/s1
InChIKeyPIPAJLPNWZMYQA-HERJZLIOSA-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)
3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester (CHEBI:94847) is a tropane alkaloid (CHEBI:37332)
Manual XrefsDatabases
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