Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:56 UTC
Update Date2025-03-21 18:37:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117482
Frequency22.3
Structure
Chemical FormulaC9H8O3
Molecular Mass164.0473
SMILESC=CC(=O)c1ccc(O)c(O)c1
InChI KeyHGPBGRLAMLUEFA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoyl derivatives
Direct Parent benzoyl derivatives
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alpha,beta-unsaturated ketones
  • aryl ketones
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • Substituents
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone