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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:58 UTC
Update Date2025-03-25 00:49:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176127
Frequency0.5
Structure
Chemical FormulaC10H15NO3
Molecular Mass197.1052
SMILESC=CC1(O)C(C(=O)OC)C2CC1N2C
InChI KeyBRCRLGYSJRSQDJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidine carboxylic acids and derivatives
Direct Parent pyrrolidine carboxylic acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • azetidines
  • carbonyl compounds
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • methyl ester
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • alcohol
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • cyclic alcohol
  • azetidine
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound