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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:47 UTC
Update Date2025-03-21 18:41:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135842
Frequency18.5
Structure
Chemical FormulaC19H22O5
Molecular Mass330.1467
SMILESCOc1ccc(CC2c3cc(O)c(OC)cc3CCC2O)cc1O
InChI KeyXEWKLXPTHSSOMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • methoxybenzene
  • organic oxygen compound
  • anisole
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound