Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:17 UTC
Update Date2025-03-25 00:49:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172249
Frequency0.5
Structure
Chemical FormulaC10H15NO2
Molecular Mass181.1103
SMILESCCC1C(C(=O)O)C2C=CC1N2C
InChI KeyDYOSCNRFYHIPSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidine carboxylic acids and derivatives
Direct Parent pyrrolidine carboxylic acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolines
  • trialkylamines
  • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound