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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:38 UTC
Update Date2025-03-25 00:53:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02198081
Frequency0.5
Structure
Chemical FormulaC16H16O3S
Molecular Mass288.082
SMILESCSc1ccc(C(=O)C(C)c2ccc(O)cc2)c(O)c1
InChI KeyCTKNFIRRKHESKT-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
  • alkyl-phenylketones
  • alkylarylthioethers
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • phenylpropanes
  • stilbenes
  • sulfenyl compounds
  • thiophenol ethers
  • thiophenols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkylarylthioether
  • organosulfur compound
  • aryl thioether
  • ketone
  • phenylpropane
  • organic oxide
  • thiophenol
  • thiophenol ether
  • sulfenyl compound
  • 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
  • aryl ketone
  • stilbene