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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:51 UTC
Update Date2025-03-25 00:52:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02194001
Frequency0.5
Structure
Chemical FormulaC13H16N2O3
Molecular Mass248.1161
SMILESCN1CCN(c2ccc(C(=O)O)c(=O)cc2)CC1
InChI KeyOKVCXYMDQYBKJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent n-arylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • cyclic ketones
  • dialkylarylamines
  • monocarboxylic acids and derivatives
  • n-methylpiperazines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • trialkylamines
  • tropones
    • Substituents
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • cyclic ketone
  • carboxylic acid derivative
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • tertiary amine
  • tropone
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound