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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:31 UTC
Update Date2025-03-21 18:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125881
Frequency20.4
Structure
Chemical FormulaC14H15NO3
Molecular Mass245.1052
SMILESOc1ccc(NCC(O)c2ccc(O)cc2)cc1
InChI KeyXGFTXCBKOPZLQK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • aromatic alcohols
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organopnictogen compounds
  • secondary alcohols
  • secondary alkylarylamines
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound