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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:44 UTC
Update Date2025-03-25 00:51:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184676
Frequency0.5
Structure
Chemical FormulaC17H22N2O7
Molecular Mass366.1427
SMILESNC(CCc1ccc(CCC(=O)O)cc1C(=O)CC(N)C(=O)O)C(=O)O
InChI KeyHBUOFUHCMCZHJI-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
  • alpha amino acids
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • gamma-keto acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylpropanoic acids
  • tricarboxylic acids and derivatives
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • 3-phenylpropanoic-acid
  • benzoyl
  • tricarboxylic acid or derivatives
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • gamma-keto acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • keto acid
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • alkyl-phenylketone