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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:37 UTC
Update Date2025-03-25 01:00:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241509
Frequency0.5
Structure
Chemical FormulaC13H13NO4
Molecular Mass247.0845
SMILESCC(O)C(=O)C1=Nc2ccccc2C1CC(=O)O
InChI KeyDVUPFBYVSRTVOG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent 3-alkylindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acyloins
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
    • Substituents
  • ketimine
  • carbonyl group
  • carboxylic acid
  • imine
  • 3-alkylindole
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound