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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:28 UTC
Update Date2025-03-25 00:54:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204612
Frequency0.5
Structure
Chemical FormulaC9H10O4
Molecular Mass182.0579
SMILESO=Cc1c(CCO)ccc(O)c1O
InChI KeyDSQVIHQFHMCZRS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alcohols and polyols
  • benzoyl derivatives
  • hydrocarbon derivatives
  • hydroxybenzaldehydes
  • organic oxides
  • vinylogous acids
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • aldehyde
  • tyrosol
  • 1-hydroxy-4-unsubstituted benzenoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • benzaldehyde
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • hydrocarbon derivative
  • hydroxybenzaldehyde
  • organooxygen compound