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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:35 UTC
Update Date2025-03-25 00:56:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221230
Frequency0.5
Structure
Chemical FormulaC17H16O4
Molecular Mass284.1049
SMILESO=C(O)CC(CC(=O)c1ccccc1)c1ccc(O)cc1
InChI KeyRUBFOUPJEBVVNK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
ClassNot Available
Subclass lignans, neolignans and related compounds
Direct Parent lignans, neolignans and related compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carbocyclic fatty acids
  • carboxylic acids
  • cinnamylphenols
  • hydrocarbon derivatives
  • hydroxy fatty acids
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenylpropanoic acids
  • retro-dihydrochalcones
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aryl alkyl ketone
  • 3-phenylpropanoic-acid
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • fatty acid
  • cinnamylphenol
  • retro-dihydrochalcone
  • norlignan skeleton
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • ketone
  • organic oxide
  • medium-chain fatty acid
  • hydroxy fatty acid
  • linear 1,3-diarylpropanoid
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone