Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:10 UTC
Update Date2025-03-21 18:32:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00088780
Frequency31.9
Structure
Chemical FormulaC9H12O3
Molecular Mass168.0786
SMILESCC(O)(CO)c1ccc(O)cc1
InChI KeyQXYGLKUCFDGMMX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol