(2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester (CHEBI:94601)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	(2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

ChEBI ID	CHEBI:94601

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

Supplier Information

Download	Molfile XML SDF

Formula

C17H23NO3

Net Charge

Average Mass

289.370

Monoisotopic Mass

289.16779

InChI

InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14-,16-/m1/s1

InChIKey

RKUNBYITZUJHSG-IIAWOOMASA-N

SMILES

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)C3=CC=CC=C3

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	(2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester (CHEBI:94601) is a tropane alkaloid (CHEBI:37332)