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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:11 UTC
Update Date2025-03-21 18:39:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125061
Frequency20.5
Structure
Chemical FormulaC16H16O3
Molecular Mass256.1099
SMILESOc1cccc(CC2COc3cc(O)ccc3C2)c1
InChI KeyHUNZOTMFMQPCCT-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • oxacyclic compounds
    • Substituents
  • monocyclic benzene moiety
  • ether
  • benzopyran
  • 1-benzopyran
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • homoisoflavan
  • chromane
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organoheterocyclic compound
  • organooxygen compound