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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:22 UTC
Update Date2025-03-25 00:50:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183868
Frequency0.5
Structure
Chemical FormulaC13H15NO3
Molecular Mass233.1052
SMILESO=C1CCCN1C1CCc2cc(O)c(O)cc21
InChI KeyGSXKYJKRHULOKC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • n-alkylpyrrolidine
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • indane
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • organooxygen compound