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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:00 UTC
Update Date2025-03-25 01:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249384
Frequency0.5
Structure
Chemical FormulaC16H16O9S
Molecular Mass384.0515
SMILESCOc1cc(CCC(=O)c2ccc(O)c(OS(=O)(=O)O)c2O)ccc1O
InChI KeyNYAYKGXAXODOBP-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
  • alkyl aryl ethers
  • alkyl-phenylketones
  • anisoles
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • cinnamylphenols
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • phenoxy compounds
  • phenylsulfates
  • resorcinols
  • sulfuric acid monoesters
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • ether
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • cinnamylphenol
  • alkyl aryl ether
  • resorcinol
  • ketone
  • phenylsulfate
  • organic oxide
  • arylsulfate
  • organic sulfuric acid or derivatives
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • phenylketone
  • butyrophenone
  • aromatic homomonocyclic compound
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • sulfate-ester
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • sulfuric acid ester
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone