Hmdb loader

Showing information for DMID00031745

Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:47:10 UTC
Update Date2025-03-21 18:01:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00031745
Frequency115.7
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESCN1C(=O)CCC1c1ccc(O)c(O)c1
InChI KeyZTEVWHIFDZTUFP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • 1-hydroxy-4-unsubstituted benzenoid
  • carboxamide group
  • organic oxygen compound
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound