Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:46:28 UTC
Update Date2025-03-21 20:02:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00311283
Frequency6.3
Structure
Chemical FormulaC4H4O4
Molecular Mass116.011
SMILESO=C=C(CO)C(=O)O
InChI KeyMIRNXIQJQHNZMF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketenes
  • monocarboxylic acids and derivatives
  • organic oxides
  • ynolates
  • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • beta-hydroxy acid
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • ynolate
  • hydrocarbon derivative
  • ketene
  • organooxygen compound