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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:40 UTC
Update Date2025-03-21 18:35:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00107087
Frequency25.1
Structure
Chemical FormulaC10H9NO3
Molecular Mass191.0582
SMILESCn1cc(C(=O)O)c2cc(O)ccc21
InChI KeyVLOIXMSHKMWINP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indolecarboxylic acids and derivatives
Direct Parent indolecarboxylic acids and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • monocarboxylic acids and derivatives
  • n-alkylindoles
  • n-methylpyrroles
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrrole carboxylic acids
  • substituted pyrroles
  • vinylogous amides
  • Substituents
  • n-methylpyrrole
  • n-alkylindole
  • carboxylic acid
  • pyrrole-3-carboxylic acid or derivatives
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • substituted pyrrole
  • carboxylic acid derivative
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • indolecarboxylic acid derivative
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • pyrrole-3-carboxylic acid
  • organooxygen compound