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Concept information

... > 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 [(5s)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester

Preferred term

3-hydroxy-2-phenylpropanoic acid [(5s)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester  

Type

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

Broader concept

charge

  • +1

formula

  • C18H26NO3

inchi

  • InChI=1S/C18H26NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13/h3-7,14-17,20H,8-12H2,1-2H3/q+1/t14-,15?,16?,17?/m0/s1

inchikey

  • PIPAJLPNWZMYQA-HERJZLIOSA-N

mass

  • 304.405

monoisotopicmass

  • 304.19072

smiles

  • 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:94847

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