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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:20:00 UTC
Update Date2025-03-21 18:36:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00110366
Frequency24.2
Structure
Chemical FormulaC9H12O4
Molecular Mass184.0736
SMILESCC(O)(CO)c1ccc(O)c(O)c1
InChI KeyIWNYRMBRRKVLMR-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • tertiary alcohol
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol