Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:32:47 UTC
Update Date2025-03-25 00:43:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02139009
Frequency0.6
Structure
Chemical FormulaC5H7NO2
Molecular Mass113.0477
SMILESCN1C=CC(=O)C1O
InChI KeyQJXPDXRIBRTZFC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonyl group
  • azacycle
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • alkanolamine