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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:44 UTC
Update Date2025-03-25 00:47:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159621
Frequency0.5
Structure
Chemical FormulaC13H13NO4
Molecular Mass247.0845
SMILESO=CCc1c[nH]c2cc(CCC(=O)O)c(O)cc12
InChI KeyXIZIMFAYHZWARV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alpha-hydrogen aldehydes
  • azacyclic compounds
  • benzenoids
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
    • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • indole
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • alpha-hydrogen aldehyde
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound