Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:31 UTC
Update Date2025-03-25 01:01:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02250577
Frequency0.5
Structure
Chemical FormulaC7H10O4
Molecular Mass158.0579
SMILESO=C1CC(=O)C(CCCO)O1
InChI KeyJXNJRBXNWHGBSW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrofurans
Subclass furanones
Direct Parent furanones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • carboxylic acid esters
  • cyclic ketones
  • gamma butyrolactones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • tetrahydrofurans
  • Substituents
  • alcohol
  • carbonyl group
  • tetrahydrofuran
  • cyclic ketone
  • carboxylic acid derivative
  • gamma butyrolactone
  • ketone
  • lactone
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 3-furanone
  • organooxygen compound