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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:41 UTC
Update Date2025-03-21 18:34:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00099717
Frequency27.5
Structure
Chemical FormulaC13H13NO5
Molecular Mass263.0794
SMILESO=C(Cc1c[nH]c2ccccc12)OC(CO)C(=O)O
InChI KeyYKLINIAKHIYBMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • pyrroles
  • sugar acids and derivatives
    • Substituents
  • carbonyl group
  • carboxylic acid
  • indole
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • glyceric_acid
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • hydroxy acid
  • organic oxygen compound
  • carboxylic acid ester
  • pyrrole
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound