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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:38 UTC
Update Date2025-03-25 00:50:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179943
Frequency0.5
Structure
Chemical FormulaC17H16O6
Molecular Mass316.0947
SMILESCOc1cc(CCC(=O)c2ccc(O)cc2C(=O)O)ccc1O
InChI KeyVGNJXTGIBUUEMZ-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-carboxy-2-haloaromatic compounds
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • alkyl-phenylketones
  • anisoles
  • aryl alkyl ketones
  • benzoic acids
  • benzoyl derivatives
  • butyrophenones
  • cinnamylphenols
  • hydrocarbon derivatives
  • hydroxybenzoic acid derivatives
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • organic oxides
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cinnamylphenol
  • retro-dihydrochalcone
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • 1-carboxy-2-haloaromatic compound
  • benzoic acid
  • benzoic acid or derivatives
  • methoxybenzene
  • phenylketone
  • hydroxybenzoic acid
  • butyrophenone
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone