Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:02:04 UTC
Update Date2025-03-24 20:08:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01352138
Frequency1.0
Structure
Chemical FormulaC6H10O3
Molecular Mass130.063
SMILESC=CC(CC(=O)O)OC
InChI KeyNAMQOAHJIAAZCQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass short-chain hydroxy acids and derivatives
Direct Parent short-chain hydroxy acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • ether
  • carboxylic acid
  • short-chain hydroxy acid
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organooxygen compound