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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:49 UTC
Update Date2025-03-25 00:59:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239660
Frequency0.5
Structure
Chemical FormulaC9H9NO2
Molecular Mass163.0633
SMILESO=C1NCC1(O)c1ccccc1
InChI KeyHPUCTLPXQMPQJM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazetidines
Subclass phenylazetidines
Direct Parent phenylazetidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • beta lactams
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • tertiary alcohols
    • Substituents
  • alcohol
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • 3-phenylazetidine
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • beta-lactam
  • organooxygen compound