[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate (CHEBI:94832)

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

ChEBI ID	CHEBI:94832

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

Supplier Information	ChemicalBook:CB21235728, ZINC000008383199

Download	Molfile XML SDF

Formula

C34H46N2O6

Net Charge

Average Mass

578.740

Monoisotopic Mass

578.33559

InChI

InChI=1S/2C17H23NO3/c2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2*2-6,13-16,19H,7-11H2,1H3/t2*13-,14-,16?/m11/s1

InChIKey

NBLUPZBTGKMBNV-BSNGCFTNSA-N

SMILES

CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(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	[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate (CHEBI:94832) is a tropane alkaloid (CHEBI:37332)