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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:49 UTC
Update Date2025-03-25 00:56:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219438
Frequency0.5
Structure
Chemical FormulaC19H20O6
Molecular Mass344.126
SMILESCOc1cc(C2c3cc(O)c(OC)cc3C(O)C3COC23)ccc1O
InChI KeyROPMHKXSVHVNIU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • alkyl aryl ethers
  • anisoles
  • dialkyl ethers
  • hydrocarbon derivatives
  • methoxybenzenes
  • methoxyphenols
  • oxacyclic compounds
  • oxetanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • tetralin
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • dialkyl ether
  • oxacycle
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • oxetane
  • secondary alcohol
  • phenol
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound