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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:40 UTC
Update Date2025-03-21 18:35:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104621
Frequency25.9
Structure
Chemical FormulaC11H15NO5
Molecular Mass241.095
SMILESOCC1OC(Nc2ccc(O)cc2)C(O)C1O
InChI KeyLLWKFHPSQRQBIE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • secondary alkylarylamines
  • tetrahydrofurans
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • tetrahydrofuran
  • 1-hydroxy-2-unsubstituted benzenoid
  • monosaccharide
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • saccharide
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • primary alcohol
  • organoheterocyclic compound
  • organooxygen compound