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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:17 UTC
Update Date2025-03-25 01:01:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02247788
Frequency0.5
Structure
Chemical FormulaC19H20O5
Molecular Mass328.1311
SMILESCOc1cc(CCC(=O)c2ccc(C(C)C(=O)O)cc2)ccc1O
InChI KeyWFTRPDMJWDQQJG-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
  • alkyl aryl ethers
  • alkyl-phenylketones
  • anisoles
  • aromatic monoterpenoids
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carboxylic acids
  • cinnamylphenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenoxy compounds
  • phenylpropanoic acids
    • Substituents
  • monoterpenoid
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • monocyclic monoterpenoid
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cinnamylphenol
  • retro-dihydrochalcone
  • p-cymene
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • 2-phenylpropanoic-acid
  • methoxybenzene
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone
  • organooxygen compound
  • aromatic monoterpenoid
  • aryl ketone