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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:46 UTC
Update Date2025-03-25 00:59:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237312
Frequency0.5
Structure
Chemical FormulaC18H20O5
Molecular Mass316.1311
SMILESO=C(Cc1cccc(O)c1)CC(O)CCc1cc(O)cc(O)c1
InChI KeyNNXXTQHJEQVBTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass benzenediols
Direct Parent resorcinols
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • benzene and substituted derivatives
  • beta-hydroxy ketones
  • hydrocarbon derivatives
  • organic oxides
  • secondary alcohols
    • Substituents
  • alcohol
  • beta-hydroxy ketone
  • monocyclic benzene moiety
  • carbonyl group
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • resorcinol
  • ketone
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound