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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:54 UTC
Update Date2025-03-25 00:56:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219619
Frequency0.5
Structure
Chemical FormulaC14H20O9
Molecular Mass332.1107
SMILESCOc1cc(OC)c(O)c(OC2OC(CO)C(O)C(O)C2O)c1
InChI KeyPIGXDLHYFPJWGM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass methoxyphenols
Direct Parent methoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 4-alkoxyphenols
  • acetals
  • alkyl aryl ethers
  • anisoles
  • dimethoxybenzenes
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • primary alcohols
  • secondary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • methoxyphenol
  • monosaccharide
  • alkyl aryl ether
  • dimethoxybenzene
  • saccharide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • 4-alkoxyphenol
  • methoxybenzene
  • oxacycle
  • organic oxygen compound
  • m-dimethoxybenzene
  • anisole
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound