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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:05 UTC
Update Date2025-03-21 18:39:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00124832
Frequency20.6
Structure
Chemical FormulaC13H12O4
Molecular Mass232.0736
SMILESO=C(O)C(CO)c1ccc2cc(O)ccc2c1
InChI KeySZNPFNIZPMLHCW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthols and derivatives
Direct Parent naphthols and derivatives
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • primary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • hydroxy acid
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary alcohol
  • 2-naphthol
  • organooxygen compound