Hmdb loader

Showing information for DMID02203511

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:00 UTC
Update Date2025-03-25 00:54:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203511
Frequency0.5
Structure
Chemical FormulaC13H17NO3
Molecular Mass235.1208
SMILESO=C(O)CCN1CCCC1c1ccc(O)cc1
InChI KeyHFERWOXZLOYJRJ-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
  • amino acids
  • aralkylamines
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • 1-hydroxy-2-unsubstituted benzenoid
  • carboxylic acid derivative
  • aralkylamine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrrole
  • phenol
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine
  • organooxygen compound