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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:52 UTC
Update Date2025-03-21 18:39:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126725
Frequency20.2
Structure
Chemical FormulaC26H30FN3O6
Molecular Mass499.2119
SMILESCC(C)c1c(C(=O)Nc2ccc(O)cc2)nc(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O
InChI KeyAAHXLHYHTCBMGB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent aromatic anilides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2-heteroaryl carboxamides
  • aryl fluorides
  • azacyclic compounds
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carbonylimidazoles
  • carboxylic acids
  • fluorobenzenes
  • halogenated fatty acids
  • heteroaromatic compounds
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • imidazoles
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • n-substituted imidazoles
  • organic oxides
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenylimidazoles
  • secondary alcohols
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • aryl fluoride
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • heterocyclic fatty acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • carboxylic acid derivative
  • organohalogen compound
  • 2-heteroaryl carboxamide
  • medium-chain hydroxy acid
  • aromatic anilide
  • beta-hydroxy acid
  • fluorobenzene
  • organic oxide
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • hydroxy fatty acid
  • imidazole-4-carbonyl group
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alcohol
  • halogenated fatty acid
  • vinylogous amide
  • azacycle
  • organofluoride
  • heteroaromatic compound
  • hydroxy acid
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-phenylimidazole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound