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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:19 UTC
Update Date2025-03-25 00:50:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02179223
Frequency0.5
Structure
Chemical FormulaC22H20O13
Molecular Mass492.0904
SMILESCOc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(C(=O)O)OC4O)cc3O2)cc1O
InChI KeyOKJGJTAAELPMIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass o-methylated flavonoids
Direct Parent 4'-o-methylated flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,4-dioxanes
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • carboxylic acids
  • chromones
  • dicarboxylic acids and derivatives
  • flavanones
  • hemiacetals
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • vinylogous acids
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • hemiacetal
  • organoheterocyclic compound
  • benzopyran
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3'-hydroxyflavonoid
  • oxacycle
  • vinylogous acid
  • organic oxygen compound
  • anisole
  • para-dioxane
  • dicarboxylic acid or derivatives
  • 4p-methoxyflavonoid-skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone