Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:49:25 UTC
Update Date2025-03-24 14:04:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00745256
Frequency2.0
Structure
Chemical FormulaC7H8O3
Molecular Mass140.0473
SMILESO=C(O)C(=O)C1C=CCC1
InChI KeyVUFVTWMOGBDAQF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass alpha-keto acids and derivatives
Direct Parent alpha-keto acids and derivatives
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • alpha-keto acid
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound