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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:28 UTC
Update Date2025-03-21 18:39:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125772
Frequency20.4
Structure
Chemical FormulaC17H14O6
Molecular Mass314.079
SMILESO=C(C=Cc1ccc(O)c(O)c1)CC(=O)c1ccc(O)c(O)c1
InChI KeyWSOHTNFXNMKCHY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acryloyl compounds
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • enones
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • alpha,beta-unsaturated ketone
  • hydroxycinnamic acid or derivatives
  • cinnamic acid or derivatives
  • organic oxide
  • enone
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxycinnamic acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • acryloyl-group
  • alkyl-phenylketone