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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:46 UTC
Update Date2025-03-25 00:45:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150613
Frequency0.5
Structure
Chemical FormulaC9H13NO4
Molecular Mass199.0845
SMILESO=C(O)C1CCC2NC1CC2C(=O)O
InChI KeyPYNLARQRJPXONJ-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
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • piperidinecarboxylic acids
  • piperidines
  • pyrrolidine carboxylic acids
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • piperidine
  • pyrrolidine
  • organoheterocyclic compound
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • tropane alkaloid
  • organooxygen compound
  • amine