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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:51 UTC
Update Date2025-03-25 01:01:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251361
Frequency0.5
Structure
Chemical FormulaC19H16O3
Molecular Mass292.1099
SMILESOc1ccc(C2COc3c(ccc4ccc(O)cc34)C2)cc1
InChI KeyDCCRFDWYXDDZAX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classisoflavonoids
Subclass isoflavans
Direct Parent isoflavanols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • naphthols and derivatives
  • naphthopyrans
  • oxacyclic compounds
  • pyrans
    • Substituents
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • isoflavanol
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • naphthopyran
  • naphthalene
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyran
  • chromane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • 2-naphthol
  • organoheterocyclic compound
  • organooxygen compound