Hmdb loader

Showing information for DMID02163095

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:17 UTC
Update Date2025-03-25 00:47:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163095
Frequency0.5
Structure
Chemical FormulaC11H13NO3
Molecular Mass207.0895
SMILESO=C(O)C1(O)CCNC1c1ccccc1
InChI KeyKXVCETLLFFVKQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • amino acids
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • pyrrolidine carboxylic acids
  • tertiary alcohols
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • alpha-hydroxy acid
  • carboxylic acid derivative
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • secondary aliphatic amine
  • azacycle
  • 2-phenylpyrrolidine
  • hydroxy acid
  • secondary amine
  • tertiary alcohol
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine