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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:10 UTC
Update Date2025-03-25 00:49:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176597
Frequency0.5
Structure
Chemical FormulaC12H13NO2
Molecular Mass203.0946
SMILESCC(=O)C1=NC(c2ccc(O)cc2)CC1
InChI KeyXMWJTWBLCCIFPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass phenylpyrrolines
Direct Parent phenylpyrrolines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrroles
    • Substituents
  • ketimine
  • monocyclic benzene moiety
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • imine
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic 1,3-dipolar compound
  • 2-phenylpyrroline
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound