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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:44 UTC
Update Date2025-03-25 00:47:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161828
Frequency0.5
Structure
Chemical FormulaC21H17IO13
Molecular Mass603.9714
SMILESO=C(O)C1OC(Oc2c(-c3cc(O)c(O)c(I)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
InChI KeyJDBSEZFHZZFCNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid-3-o-glucuronides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • aryl iodides
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • chromones
  • flavonoid-3-o-glycosides
  • flavonoids
  • glucuronic acid derivatives
  • halophenols
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • iodobenzenes
  • m-iodophenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • o-iodophenols
  • organic oxides
  • organoiodides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • pyranones and derivatives
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • monocyclic benzene moiety
  • carboxylic acid
  • 1-benzopyran
  • o-glucuronide
  • monosaccharide
  • iodobenzene
  • pyran carboxylic acid
  • organoiodide
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • chromone
  • flavonoid-3-o-glucuronide
  • flavonoid-3-o-glycoside
  • oxane
  • organoheterocyclic compound
  • alcohol
  • benzopyran
  • heteroaromatic compound
  • 5-hydroxyflavonoid
  • 2-iodophenol
  • aryl halide
  • vinylogous acid
  • 7-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • halobenzene
  • 3-iodophenol
  • carbonyl group
  • glucuronic acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyranone
  • 3-halophenol
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • 2-halophenol
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • benzenoid
  • aryl iodide
  • organooxygen compound