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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:26 UTC
Update Date2025-03-25 01:01:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250407
Frequency0.5
Structure
Chemical FormulaC17H16O5
Molecular Mass300.0998
SMILESO=C(O)Cc1cc(C(=O)CCc2ccc(O)cc2)ccc1O
InChI KeyRLGKRJWZHFRMBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent retro-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 2(hydroxyphenyl)acetic acids
  • alkyl-phenylketones
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • cinnamylphenols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • retro-dihydrochalcone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • 2(hydroxyphenyl)acetic acid
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone