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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:45:42 UTC
Update Date2025-03-25 01:33:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02445546
Frequency0.5
Structure
Chemical FormulaC5H7NO3
Molecular Mass129.0426
SMILESO=C(O)C1=CC(O)NC1
InChI KeyMHWKZMYQDITWAO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrroline carboxylic acids and derivatives
Direct Parent pyrroline carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylamines
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • carboxylic acid
  • azacycle
  • amino acid or derivatives
  • amino acid
  • secondary amine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrroline carboxylic acid
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine
  • alkanolamine