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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:20 UTC
Update Date2025-03-21 18:35:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00103796
Frequency26.2
Structure
Chemical FormulaC20H31NO11
Molecular Mass461.1897
SMILESCC1OC(OCC2OC(Oc3ccc(CCN)cc3O)C(O)C(O)C2O)C(O)C(O)C1O
InChI KeyDVDVHPGJGZOEIZ-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
  • acetals
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • phenoxy compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • phenol ether
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • 1-hydroxy-4-unsubstituted benzenoid
  • oxacycle
  • saccharide
  • organic oxygen compound
  • acetal
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • oxane
  • organoheterocyclic compound
  • organooxygen compound