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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > benzoate ester > ecgonine benzoate
organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > ecgonine benzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > tropane alkaloid > ecgonine benzoate

Preferred term

ecgonine benzoate  

Type

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

Broader concept

alt_id

  • CHEBI:3041

charge

  • 0

formula

  • C16H19NO4

has_functional_parent

has_role

inchi

  • InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1

inchikey

  • GVGYEFKIHJTNQZ-RFQIPJPRSA-N

mass

  • 289.32640

monoisotopicmass

  • 289.13141

smiles

  • [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(O)=O)N2C

subset

  • 3_STAR

synonym EXACT

  • (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid

synonym RELATED

  • (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylic acid
  • 3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
  • BCG
  • BEG
  • (-)-benzoylecgonine
  • Benzoylecgonine
  • O-Benzoyl-(-)-ecgonine
  • O-benzoylecgonine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:41001

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