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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:17 UTC
Update Date2025-03-25 01:01:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250032
Frequency0.5
Structure
Chemical FormulaC17H18O4S
Molecular Mass318.0926
SMILESCSCc1ccc(C(C)C(=O)c2c(O)cc(O)cc2O)cc1
InChI KeyJPCWWLGSTGJCBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classalpha-methyldeoxybenzoin flavonoids
Subclass alpha-methyldeoxybenzoin flavonoids
Direct Parent alpha-methyldeoxybenzoin flavonoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • alkyl-phenylketones
  • aromatic monoterpenoids
  • aryl alkyl ketones
  • benzoyl derivatives
  • dialkylthioethers
  • hydrocarbon derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • organooxygen compounds
  • phenylpropanes
  • stilbenes
  • sulfenyl compounds
  • vinylogous acids
    • Substituents
  • monoterpenoid
  • monocyclic benzene moiety
  • monocyclic monoterpenoid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • p-cymene
  • organosulfur compound
  • ketone
  • phenylpropane
  • phloroglucinol derivative
  • organic oxide
  • acylphloroglucinol derivative
  • sulfenyl compound
  • dialkylthioether
  • benzenetriol
  • 1-hydroxy-4-unsubstituted benzenoid
  • phenylketone
  • alpha-methyldeoxybenzoin flavonoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • thioether
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aromatic monoterpenoid
  • aryl ketone
  • stilbene