Hmdb loader

Showing information for DMID01524549

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:14:18 UTC
Update Date2025-03-24 20:40:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01524549
Frequency0.8
Structure
Chemical FormulaC6H9NO3
Molecular Mass143.0582
SMILESNCC(O)C1C=CC(=O)O1
InChI KeyIEJAFVFFPQJOAD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent butenolides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • dihydrofurans
  • enoate esters
  • hydrocarbon derivatives
  • lactones
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
    • Substituents
  • enoate ester
  • alcohol
  • carbonyl group
  • carboxylic acid derivative
  • lactone
  • oxacycle
  • alpha,beta-unsaturated carboxylic ester
  • 2-furanone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound