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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:11 UTC
Update Date2025-03-25 00:59:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236012
Frequency0.5
Structure
Chemical FormulaC20H30O13
Molecular Mass478.1686
SMILESOCC1OC(OC2C(O)C(CO)OC(OCCc3ccc(O)c(O)c3)C2O)C(O)C(O)C1O
InChI KeyFKUWQWJFTAWUKB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetals
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • secondary alcohol
  • hydrocarbon derivative
  • tyrosol derivative
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound