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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:56 UTC
Update Date2025-03-25 00:48:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166913
Frequency0.5
Structure
Chemical FormulaC18H18O6
Molecular Mass330.1103
SMILESCC(C)(C)c1cc(C(=O)O)cc(C(=O)c2ccc(O)cc2O)c1O
InChI KeyZWFMCYZIUAIIJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzophenones
Direct Parent benzophenones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • aryl ketones
  • aryl-phenylketones
  • benzoic acids
  • benzoyl derivatives
  • carboxylic acids
  • diphenylmethanes
  • hydrocarbon derivatives
  • hydroxybenzoic acid derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • phenylpropanes
  • resorcinols
  • vinylogous acids
    • Substituents
  • diphenylmethane
  • carboxylic acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • resorcinol
  • benzophenone
  • ketone
  • phenylpropane
  • organic oxide
  • benzoic acid
  • aryl-phenylketone
  • benzoic acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxybenzoic acid
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • organooxygen compound
  • aryl ketone