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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:54:29 UTC
Update Date2025-03-21 18:04:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00049295
Frequency67.0
Structure
Chemical FormulaC12H16O7
Molecular Mass272.0896
SMILESOc1ccccc1OCC1OC(O)C(O)C(O)C1O
InChI KeyLGTOFHLYSQNSDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • alkyl aryl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • alkyl aryl ether
  • oxacycle
  • saccharide
  • organic oxygen compound
  • secondary alcohol
  • phenol
  • hemiacetal
  • hydrocarbon derivative
  • phenoxy compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound