Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:39 UTC
Update Date2025-03-25 01:01:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250891
Frequency0.5
Structure
Chemical FormulaC13H12O5
Molecular Mass248.0685
SMILESO=C(O)CCc1cc2cc(O)c(O)cc2cc1O
InChI KeyAEOZIUDYKBTQIC-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
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • 2-naphthol
  • organooxygen compound