Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:42:58 UTC
Update Date2025-03-21 20:01:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00303281
Frequency6.5
Structure
Chemical FormulaC6H8O3
Molecular Mass128.0473
SMILESO=C1CCCC(=O)OC1
InChI KeyFPTSIUSHZKXOIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass lactones
Direct Parent lactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-acyloxy ketones
  • carboxylic acid esters
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxepanes
  • Substituents
  • caprolactone
  • carbonyl group
  • alpha-acyloxy ketone
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • lactone
  • oxepane
  • oxacycle
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound