Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:57:46 UTC
Update Date2025-03-25 00:52:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196104
Frequency0.5
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESCC1=CC(O)=NC(O)C1O
InChI KeyKUAACVUHDJLQNO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboximidic acids and derivatives
Subclass carboximidic acids
Direct Parent cyclic carboximidic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • cyclic carboximidic acid
  • organoheterocyclic compound
  • organooxygen compound
  • alkanolamine