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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:53 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230741
Frequency0.5
Structure
Chemical FormulaC11H12N2O3
Molecular Mass220.0848
SMILESCN1CC(=O)N(c2ccc(O)cc2)C(=O)C1
InChI KeyUKGVWFLNMGCVJR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazinanes
Subclass piperazines
Direct Parent phenylpiperazines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • dioxopiperazines
  • hydrocarbon derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • n-substituted carboxylic acid imides
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • dioxopiperazine
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • dicarboximide
  • carboxylic acid imide, n-substituted
  • tertiary amine
  • azacycle
  • n-alkylpiperazine
  • tertiary aliphatic amine
  • n-methylpiperazine
  • carboxylic acid imide
  • phenylpiperazine
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound