Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:30 UTC
Update Date2025-03-25 00:56:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221030
Frequency0.5
Structure
Chemical FormulaC17H12O4
Molecular Mass280.0736
SMILESO=C(O)c1cc2ccccc2cc1Oc1ccc(O)cc1
InChI KeyJNDDZDWMTOLHHB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenecarboxylic acids and derivatives
Direct Parent naphthalenecarboxylic acids
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • diarylethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • diaryl ether
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • 1-carboxy-2-haloaromatic compound
  • 2-naphthalenecarboxylic acid
  • phenoxy compound
  • organooxygen compound