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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:56:24 UTC
Update Date2025-03-25 00:52:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02192997
Frequency0.5
Structure
Chemical FormulaC12H18O4
Molecular Mass226.1205
SMILESCCCC(O)C(O)Cc1cc(O)cc(O)c1
InChI KeyXKLKBUXGQXZWMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound
  • 1,2-diol