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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:24 UTC
Update Date2025-03-21 18:35:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106407
Frequency25.3
Structure
Chemical FormulaC12H14N2O5
Molecular Mass266.0903
SMILESCC(=O)Nc1c(O)cccc1C(=O)CC(N)C(=O)O
InChI KeyCSPRVEYBGXRLAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetamides
  • acetanilides
  • alpha amino acids
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • n-acetylarylamine
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • acetamide
  • vinylogous amide
  • acetanilide
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • keto acid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • alkyl-phenylketone