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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:21 UTC
Update Date2025-03-25 00:47:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163230
Frequency0.5
Structure
Chemical FormulaC22H24O13
Molecular Mass496.1217
SMILESO=C(O)C1C(O)C(O)C(O)C(O)C1Oc1cc2c(cc1O)CC(O)C(c1cc(O)c(O)c(O)c1)O2
InChI KeyXHUKDTVBXMKXDE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 3-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 6-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • cyclohexanols
  • flavan-3-ols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • phenol ethers
  • pyrogallols and derivatives
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • carbonyl group
  • ether
  • carboxylic acid
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • aromatic heteropolycyclic compound
  • chromane
  • flavan-3-ol
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • pyrogallol derivative
  • benzenetriol
  • 6-hydroxyflavonoid
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • cyclic alcohol
  • 3'-hydroxyflavonoid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound