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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:06:43 UTC
Update Date2025-03-21 18:29:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00078303
Frequency37.4
Structure
Chemical FormulaC14H18O4
Molecular Mass250.1205
SMILESCOC(=O)c1cc(C(C)=O)c(O)c(C(C)(C)C)c1
InChI KeyMRIZBGMDOYDUCJ-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
  • acetophenones
  • aryl alkyl ketones
  • benzoyl derivatives
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • phenols
  • phenylpropanes
  • vinylogous acids
  • p-hydroxybenzoic acid alkyl esters
    • Substituents
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • p-hydroxybenzoic acid ester
  • benzoyl
  • benzoate ester
  • carboxylic acid derivative
  • phenylpropane
  • organic oxide
  • methyl ester
  • acetophenone
  • benzoic acid or derivatives
  • p-hydroxybenzoic acid alkyl ester
  • aromatic homomonocyclic compound
  • vinylogous acid
  • monocarboxylic acid or derivatives
  • carboxylic acid ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone