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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:26 UTC
Update Date2025-03-25 00:47:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163430
Frequency0.5
Structure
Chemical FormulaC14H12O5
Molecular Mass260.0685
SMILESO=C(O)C(=O)CC(O)c1ccc(O)c2ccccc12
InChI KeyLBZGXFKLARLBCA-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
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • aromatic alcohols
  • beta-hydroxy ketones
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • beta-hydroxy ketone
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • keto acid
  • alpha-keto acid
  • secondary alcohol
  • hydrocarbon derivative
  • 1-naphthol
  • organooxygen compound