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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:17 UTC
Update Date2025-03-21 18:39:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125300
Frequency20.5
Structure
Chemical FormulaC15H12O5
Molecular Mass272.0685
SMILESO=C(CC(=O)c1ccc(O)cc1)Oc1ccc(O)cc1
InChI KeyOAQCYXVRJKIGHQ-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
  • aryl alkyl ketones
  • benzoyl derivatives
  • beta-keto acids and derivatives
  • carboxylic acid esters
  • fatty acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenol esters
  • phenoxy compounds
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • beta-keto acid
  • organic oxide
  • aromatic homomonocyclic compound
  • fatty acid ester
  • monocarboxylic acid or derivatives
  • keto acid
  • carboxylic acid ester
  • phenol ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone