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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:42 UTC
Update Date2025-03-25 01:00:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241715
Frequency0.5
Structure
Chemical FormulaC18H16O6
Molecular Mass328.0947
SMILESCC(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1ccc(O)cc1
InChI KeyPHGSONLKIISBFX-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
  • alpha-acyloxy ketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • enoate esters
  • fatty acid esters
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanes
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • alpha-acyloxy ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • phenylpropane
  • alpha,beta-unsaturated carboxylic ester
  • cinnamic acid or derivatives
  • organic oxide
  • enoate ester
  • 1-hydroxy-4-unsubstituted benzenoid
  • hydroxycinnamic acid
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone