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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:25 UTC
Update Date2025-03-25 00:46:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154503
Frequency0.5
Structure
Chemical FormulaC21H22O9
Molecular Mass418.1264
SMILESCOc1ccc(C2CC(=O)c3c(cc(O)cc3OC3OC(C)C(O)C3O)O2)cc1O
InChI KeyIFBPUXBXVFFJMN-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
  • 1,2-diols
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 7-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • anisoles
  • aryl alkyl ketones
  • chromones
  • flavanones
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tetrahydrofurans
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aryl alkyl ketone
  • 1-benzopyran
  • flavanone
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • ketone
  • saccharide
  • organic oxide
  • acetal
  • chromone
  • aromatic heteropolycyclic compound
  • chromane
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • benzopyran
  • tetrahydrofuran
  • 1-hydroxy-4-unsubstituted benzenoid
  • methoxybenzene
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • anisole
  • 7-hydroxyflavonoid
  • secondary alcohol
  • 4p-methoxyflavonoid-skeleton
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • organooxygen compound
  • aryl ketone