Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:47 UTC
Update Date2025-03-21 18:01:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00033217
Frequency109.4
Structure
Chemical FormulaC7H8O4
Molecular Mass156.0423
SMILESOCc1ccc(O)c(O)c1O
InChI KeyKPAQWJFRHOHSRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenetriols and derivatives
Direct Parent 5-unsubstituted pyrrogallols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • benzyl alcohols
  • hydrocarbon derivatives
  • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • benzyl alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • 5-unsubstituted pyrrogallol
  • hydrocarbon derivative
  • organooxygen compound