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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:13:20 UTC
Update Date2025-03-21 18:33:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00094007
Frequency29.6
Structure
Chemical FormulaC16H16O4
Molecular Mass272.1049
SMILESCC1c2c(O)cc(O)cc2OC(c2ccccc2)C1O
InChI KeyLCHSQZRBZAUZII-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
  • 7-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • flavan-3-ols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • 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
  • aromatic heteropolycyclic compound
  • 7-hydroxyflavonoid
  • secondary alcohol
  • chromane
  • hydrocarbon derivative
  • benzenoid
  • flavan-3-ol
  • organoheterocyclic compound
  • organooxygen compound