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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:47 UTC
Update Date2025-03-25 00:49:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175683
Frequency0.5
Structure
Chemical FormulaC15H13NO5
Molecular Mass287.0794
SMILESO=C(Cc1ccccc1O)Nc1ccc(O)c(C(=O)O)c1
InChI KeyKNQCNGGDTJDZBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent acylaminobenzoic acid and derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • anilides
  • benzoic acids
  • benzoyl derivatives
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • phenylacetamides
  • salicylic acids
  • secondary carboxylic acid amides
  • vinylogous acids
    • Substituents
  • carbonyl group
  • carboxylic acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • n-arylamide
  • salicylic acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • phenylacetamide
  • acylaminobenzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • salicylic acid or derivatives
  • phenol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound