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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:55 UTC
Update Date2025-03-25 00:57:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221985
Frequency0.5
Structure
Chemical FormulaC16H13F3O6
Molecular Mass358.0664
SMILESOc1ccc(C2Oc3cc(OC(F)(F)F)cc(O)c3CC2O)cc1O
InChI KeyZIEVEWWCBSLVHV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass flavans
Direct Parent catechins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • 3'-hydroxyflavonoids
  • 3-hydroxyflavonoids
  • 4'-hydroxyflavonoids
  • 5-hydroxyflavonoids
  • alkyl aryl ethers
  • alkyl fluorides
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organofluorides
  • oxacyclic compounds
  • phenol ethers
  • secondary alcohols
  • trihalomethanes
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • 3-hydroxyflavonoid
  • ether
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • organohalogen compound
  • aromatic heteropolycyclic compound
  • chromane
  • catechin
  • alkyl halide
  • organoheterocyclic compound
  • alcohol
  • halomethane
  • benzopyran
  • trihalomethane
  • alkyl fluoride
  • organofluoride
  • 5-hydroxyflavonoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • 3'-hydroxyflavonoid
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound