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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:35 UTC
Update Date2025-03-25 00:46:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154880
Frequency0.5
Structure
Chemical FormulaC16H16O6S
Molecular Mass336.0668
SMILESCOc1ccc(C(C)C(=O)c2c(O)cc(O)cc2S(=O)O)cc1
InChI KeyBPBXHCQLWHVMBA-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 aryl ethers
  • alkyl-phenylketones
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organosulfur compounds
  • phenoxy compounds
  • phenylpropanes
  • resorcinols
  • stilbenes
  • sulfinic acids
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • sulfinic acid derivative
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organosulfur compound
  • sulfinic acid
  • resorcinol
  • ketone
  • phenylpropane
  • organic oxide
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • phenylketone
  • alpha-methyldeoxybenzoin flavonoid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone
  • stilbene