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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:45 UTC
Update Date2025-03-25 00:47:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159641
Frequency0.5
Structure
Chemical FormulaC16H15NO4
Molecular Mass285.1001
SMILESO=CNc1c(O)cccc1C(=O)CCc1ccc(O)cc1
InChI KeyBKGVALPNYMTLIN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent retro-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl-phenylketones
  • anilides
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids and derivatives
  • cinnamylphenols
  • hydrocarbon derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • vinylogous amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • n-arylamide
  • retro-dihydrochalcone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone