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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:52 UTC
Update Date2025-03-25 01:01:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249093
Frequency0.5
Structure
Chemical FormulaC16H15BrO5
Molecular Mass366.0103
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1Br
InChI KeyAJIGOGFXWMUZLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classlinear 1,3-diarylpropanoids
Subclass chalcones and dihydrochalcones
Direct Parent 2'-hydroxy-dihydrochalcones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acylphloroglucinols and derivatives
  • alkyl aryl ethers
  • alkyl-phenylketones
  • anisoles
  • aryl alkyl ketones
  • aryl bromides
  • benzoyl derivatives
  • bromobenzenes
  • butyrophenones
  • cinnamylphenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • organic oxides
  • organobromides
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • alkyl aryl ether
  • organohalogen compound
  • ketone
  • phloroglucinol derivative
  • organic oxide
  • acylphloroglucinol derivative
  • benzenetriol
  • bromobenzene
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • phenylketone
  • aryl halide
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • organobromide
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • phenoxy compound
  • aryl bromide
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone