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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:37 UTC
Update Date2025-03-25 00:49:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177675
Frequency0.5
Structure
Chemical FormulaC17H16O6
Molecular Mass316.0947
SMILESCOc1cc(C2Oc3cccc(O)c(=O)c3CC2O)ccc1O
InChI KeyLYDJBPBJABJVFI-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
  • methoxybenzenes
  • organic oxides
  • oxacyclic compounds
  • phenoxy compounds
  • secondary alcohols
  • tropolones
  • vinylogous esters
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • tropone
  • vinylogous ester
  • 1-hydroxy-2-unsubstituted benzenoid
  • methoxyphenol
  • alkyl aryl ether
  • methoxybenzene
  • tropolone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organoheterocyclic compound
  • organooxygen compound