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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:28 UTC
Update Date2025-03-25 00:48:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165812
Frequency0.5
Structure
Chemical FormulaC8H10O5
Molecular Mass186.0528
SMILESCC1C(=O)OC(C(=O)O)C(C)C1=O
InChI KeySVTGUMYWBQGUMW-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 acid esters
  • carboxylic acids
  • cyclic ketones
  • delta valerolactones
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
    • Substituents
  • carbonyl group
  • carboxylic acid
  • pyran carboxylic acid or derivatives
  • delta valerolactone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • oxane
  • delta_valerolactone
  • organooxygen compound