Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:02:12 UTC
Update Date2025-03-24 14:10:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00775690
Frequency1.9
Structure
Chemical FormulaC6H8O4
Molecular Mass144.0423
SMILESO=C(O)C1OCCCC1=O
InChI KeyYVYKUWILWXGESW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrans
Subclass pyran carboxylic acids and derivatives
Direct Parent pyran carboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acids
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • Substituents
  • carbonyl group
  • ether
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • cyclic ketone
  • carboxylic acid derivative
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • oxane
  • organooxygen compound