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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:53 UTC
Update Date2025-03-25 01:01:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251440
Frequency0.5
Structure
Chemical FormulaC16H14O5
Molecular Mass286.0841
SMILESOc1cccc2c1CC(O)C(c1ccc3c(c1)OCO3)O2
InChI KeyVWAVXUJKXKAECZ-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
  • 5-hydroxyflavonoids
  • acetals
  • alkyl aryl ethers
  • benzenoids
  • benzodioxoles
  • flavan-3-ols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • 3-hydroxyflavonoid
  • ether
  • benzopyran
  • 1-benzopyran
  • flavan
  • 5-hydroxyflavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • acetal
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • flavan-3-ol
  • organoheterocyclic compound
  • organooxygen compound
  • benzodioxole