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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:53 UTC
Update Date2025-03-21 17:58:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00017311
Frequency244.1
Structure
Chemical FormulaC11H12O4
Molecular Mass208.0736
SMILESO=C1CCC(Cc2cc(O)ccc2O)O1
InChI KeySOZATNHBBTYQJK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent hydroquinones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acid esters
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • gamma butyrolactone
  • hydroquinone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound