CHEBI:92712 - (2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester

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ChEBI Name (2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
ChEBI ID CHEBI:92712
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H23NO3
Net Charge 0
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+,15?,16-/m1/s1
InChIKey RKUNBYITZUJHSG-VFSICIBPSA-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 )
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ChEBI Ontology
Outgoing (2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester (CHEBI:92712) is a tropane alkaloid (CHEBI:37332)
Manual Xref Database
LSM-2897 LINCS
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