Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:09:15 UTC
Update Date2025-03-21 18:31:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00084325
Frequency34.0
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESCC1(O)CC(=O)c2c(O)cc(O)cc2C1
InChI KeyLFOVZJRJEHEMKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl alkyl ketones
  • hydrocarbon derivatives
  • organic oxides
  • tertiary alcohols
  • vinylogous acids
  • Substituents
  • alcohol
  • tetralin
  • aryl alkyl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • ketone
  • vinylogous acid
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone