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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:26 UTC
Update Date2025-03-25 00:55:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02211572
Frequency0.5
Structure
Chemical FormulaC11H16N2O3
Molecular Mass224.1161
SMILESCC(=O)NCC(O)CNc1ccccc1O
InChI KeyZZWXBXVAXDPWRF-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • acetamides
  • amino acids and derivatives
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary alkylarylamines
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • amino acid or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • acetamide
  • alcohol
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • secondary alcohol
  • phenylalkylamine
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organooxygen compound