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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:22 UTC
Update Date2025-03-25 00:45:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149636
Frequency0.5
Structure
Chemical FormulaC18H20O5
Molecular Mass316.1311
SMILESCC(C)Cc1ccc(C(O)C(=O)c2c(O)cc(O)cc2O)cc1
InChI KeyWIFOJGHZVPKOQO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classstilbenes
Subclass benzoins
Direct Parent benzoins
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acyloins
  • acylphloroglucinols and derivatives
  • alkyl-phenylketones
  • aromatic alcohols
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • phenylpropanes
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • aromatic alcohol
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • ketone
  • phenylpropane
  • phloroglucinol derivative
  • organic oxide
  • acylphloroglucinol derivative
  • alcohol
  • benzoin
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone