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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:55 UTC
Update Date2025-03-25 00:50:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02180602
Frequency0.5
Structure
Chemical FormulaC17H18O6
Molecular Mass318.1103
SMILESCOc1cc(O)c2c(c1)OC(c1ccc(OC)c(O)c1)C2CO
InChI KeyIBLFNFNZKPWKEE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassphenylpropanoids and polyketides
Class2-arylbenzofuran flavonoids
Subclass 2-arylbenzofuran flavonoids
Direct Parent 2-arylbenzofuran flavonoids
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • coumarans
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • oxacyclic compounds
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 2-arylbenzofuran flavonoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • phenoxy compound
  • primary alcohol
  • organoheterocyclic compound
  • coumaran
  • organooxygen compound