3-hydroxy-2-phenylpropanoic acid (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) ester (CHEBI:91495)

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ChEBI Name	3-hydroxy-2-phenylpropanoic acid (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) ester

ChEBI ID	CHEBI:91495

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

Supplier Information

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Formula

C20H30NO3

Net Charge

Average Mass

332.458

Monoisotopic Mass

332.22202

InChI

InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1

InChIKey

OEXHQOGQTVQTAT-UHFFFAOYSA-N

SMILES

CC(C)[N+]1(C2CCC1CC(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 (8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl) ester (CHEBI:91495) is a tropane alkaloid (CHEBI:37332)