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CHEBI:91661 - 3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester

ChEBI IDCHEBI:91661
ChEBI Name3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
Stars
DownloadsMolfile
FormulaC20H30NO3
Net Charge+1
Average Mass332.464
Monoisotopic Mass332.22202
SMILESCC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2
InChIInChI=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/t16-,17-,18?,19?,21?/m1/s1
InChIKeyOEXHQOGQTVQTAT-IPHBXJNRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester (CHEBI:91661) is a tropane alkaloid (CHEBI:37332)
Manual XrefsDatabases
LSM-1497LINCS