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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azabicycloalkane > tropane alkaloid > 3-hydroxy-2-phenylpropanoic acid [(5r)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azabicycloalkane > tropane alkaloid > 3-hydroxy-2-phenylpropanoic acid [(5r)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > tropane alkaloid > 3-hydroxy-2-phenylpropanoic acid [(5r)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester

Preferred term

3-hydroxy-2-phenylpropanoic acid [(5r)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • +1

formula

  • C20H30NO3

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/t16-,17?,18?,19?,21?/m1/s1

inchikey

  • OEXHQOGQTVQTAT-HINLZNOGSA-N

mass

  • 332.458

monoisotopicmass

  • 332.22202

smiles

  • CC(C)[N+]1([C@@H]2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:91505

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