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

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

ChEBI ID	CHEBI:94847

Stars	This entity has been manually annotated by a third party.

Supplier Information

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Formula

C18H26NO3

Net Charge

Average Mass

304.405

Monoisotopic Mass

304.19072

InChI

InChI=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

InChIKey

PIPAJLPNWZMYQA-HERJZLIOSA-N

SMILES

C[N+]1([C@H]2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	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)