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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:29 UTC
Update Date2025-03-21 18:35:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106626
Frequency25.3
Structure
Chemical FormulaC16H16O4
Molecular Mass272.1049
SMILESCOc1cc(CC2COc3cc(O)ccc32)ccc1O
InChI KeyITKKFYSQXXLRCE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • coumarans
  • hydrocarbon derivatives
  • methoxybenzenes
  • oxacyclic compounds
  • phenoxy compounds
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • coumaran
  • organooxygen compound