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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:14 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154070
Frequency0.5
Structure
Chemical FormulaC22H26O10
Molecular Mass450.1526
SMILESCOc1cc(CCC(=O)c2c(O)cc(O)cc2C2OC(CO)C(O)C(O)C2O)ccc1O
InChI KeyTWJROYZBQQJFIU-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 heteromonocyclic 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
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • resorcinols
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 2'-hydroxy-dihydrochalcone
  • aryl alkyl ketone
  • aromatic heteromonocyclic compound
  • benzoyl
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • cinnamylphenol
  • alkyl aryl ether
  • dialkyl ether
  • resorcinol
  • ketone
  • saccharide
  • organic oxide
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • phenylketone
  • butyrophenone
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • alkyl-phenylketone
  • organooxygen compound
  • aryl ketone