Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:17:15 UTC
Update Date2025-03-24 19:59:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01099152
Frequency1.3
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESNC1CC(C(=O)O)=CC1O
InChI KeyLKYCCARKSDKHBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent gamma amino acids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • carboxylic acid
  • gamma amino acid or derivatives
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound