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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:52 UTC
Update Date2025-03-25 00:46:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155551
Frequency0.5
Structure
Chemical FormulaC16H16O3
Molecular Mass256.1099
SMILESCc1ccc2c(c1)C(O)CC(c1ccc(O)cc1)O2
InChI KeyTWYOOEAGQRWPHH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classflavonoids
Subclass hydroxyflavonoids
Direct Parent 4-hydroxyflavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • 4'-hydroxyflavonoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • flavan-4-ols
  • hydrocarbon derivatives
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • flavan
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • 4-hydroxyflavonoid
  • aromatic heteropolycyclic compound
  • secondary alcohol
  • chromane
  • 4'-hydroxyflavonoid
  • phenol
  • hydrocarbon derivative
  • flavan-4-ol
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound