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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:55 UTC
Update Date2025-03-25 00:53:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198768
Frequency0.5
Structure
Chemical FormulaC12H19NO4
Molecular Mass241.1314
SMILESCCOC(=O)C1C(O)CC2CCC1N2C(C)=O
InChI KeyKEYZWCBDJUTQFX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassalkaloids and derivatives
Classtropane alkaloids
Subclass tropane alkaloids
Direct Parent tropane alkaloids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acylpiperidines
  • n-acylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • secondary alcohols
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acylpyrrolidine
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • beta-hydroxy acid
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • piperidine
  • pyrrolidine
  • organoheterocyclic compound
  • acetamide
  • alcohol
  • azacycle
  • hydroxy acid
  • cyclic alcohol
  • carboxamide group
  • n-acyl-piperidine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • tropane alkaloid
  • organooxygen compound