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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:34:48 UTC
Update Date2025-03-21 17:56:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00003376
Frequency1732.3
Structure
Chemical FormulaC7H7NO3
Molecular Mass153.0426
SMILESNc1cccc(O)c1C(=O)O
InChI KeyUZSDRHVOBLQYCX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent salicylic acids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • amino acids
  • benzoic acids
  • benzoyl derivatives
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • vinylogous acids
  • vinylogous amides
  • Substituents
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • salicylic acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • vinylogous amide
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound