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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:12 UTC
Update Date2025-03-25 00:46:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158439
Frequency0.5
Structure
Chemical FormulaC18H26O12
Molecular Mass434.1424
SMILESOCC1OC(OC2C(O)C(O)C(Oc3ccc(O)cc3)C(O)C2O)C(O)C(O)C1O
InChI KeyGVSVELOJTPVJRJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 4-alkoxyphenols
Direct Parent 4-alkoxyphenols
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • acetals
  • alkyl aryl ethers
  • cyclitols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • phenol ethers
  • phenoxy compounds
  • primary alcohols
    • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • ether
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • alkyl aryl ether
  • saccharide
  • acetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • 4-alkoxyphenol
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • phenoxy compound
  • organooxygen compound