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Record Information
HMDB Statuspredicted
Creation Date2024-02-20 23:54:06 UTC
Update Date2025-03-21 18:04:06 UTC
HMDB IDHMDB0135226
Metabolite Identification
DeepMet IDDMID00048388
Name[4-(3-oxo-3-phenylpropyl)phenyl]oxidanesulfonic acid
Frequency68.5
Structure
Chemical FormulaC15H14O5S
Molecular Mass306.0562
SMILESO=C(CCc1ccc(OS(=O)(=O)O)cc1)c1ccccc1
InChI KeyZYDRHWCGFKADDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent retro-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • hydrocarbon derivatives
  • linear 1,3-diarylpropanoids
  • organic oxides
  • organooxygen compounds
  • phenoxy compounds
  • phenylsulfates
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • aryl alkyl ketone
  • benzoyl
  • retro-dihydrochalcone
  • phenylketone
  • ketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • phenylsulfate
  • organic oxide
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • arylsulfate
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone