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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:16 UTC
Update Date2025-03-25 00:54:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204130
Frequency0.5
Structure
Chemical FormulaC16H16O4
Molecular Mass272.1049
SMILESOc1ccc(CC2(O)COc3cc(O)ccc3C2)cc1
InChI KeyQPGSVJYQHOPCBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Classhomoisoflavonoids
Subclass homoisoflavans
Direct Parent homoisoflavans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-benzopyrans
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • tertiary alcohol
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • homoisoflavan
  • chromane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound