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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:08 UTC
Update Date2025-03-25 00:59:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02235905
Frequency0.5
Structure
Chemical FormulaC22H22O11
Molecular Mass462.1162
SMILESCOc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(OC2OC(C(=O)O)C(O)C(O)C2O)c1
InChI KeyAIBAFBNULZXPBU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavonoid glycosides
Direct Parent flavonoid o-glycosides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • alpha,beta-unsaturated ketones
  • anisoles
  • aryl ketones
  • benzoyl derivatives
  • beta hydroxy acids and derivatives
  • carboxylic acids
  • cinnamylphenols
  • glucuronic acid derivatives
  • hydrocarbon derivatives
  • hydroxycinnamic acids
  • methoxybenzenes
  • methoxyphenols
  • monocarboxylic acids and derivatives
  • monosaccharides
  • o-glucuronides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • pyran carboxylic acids
  • secondary alcohols
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carboxylic acid
  • methoxyphenol
  • benzoyl
  • o-glucuronide
  • monosaccharide
  • alpha,beta-unsaturated ketone
  • pyran carboxylic acid
  • ketone
  • 1-o-glucuronide
  • beta-hydroxy acid
  • saccharide
  • acetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • methoxybenzene
  • vinylogous acid
  • anisole
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • aryl ketone
  • carbonyl group
  • ether
  • glucuronic acid or derivatives
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • cinnamylphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • hydroxycinnamic acid or derivatives
  • cinnamic acid or derivatives
  • organic oxide
  • linear 1,3-diarylpropanoid
  • pyran carboxylic acid or derivatives
  • hydroxy acid
  • 1-hydroxy-4-unsubstituted benzenoid
  • flavonoid o-glycoside
  • hydroxycinnamic acid
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyran
  • secondary alcohol
  • benzenoid
  • organooxygen compound