Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:23 UTC
Update Date2025-03-25 00:46:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156649
Frequency0.5
Structure
Chemical FormulaC11H18O4
Molecular Mass214.1205
SMILESO=C1CC(O)CC(C2(O)CCCCC2)O1
InChI KeyVCSKUXZFFAYJTK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass delta valerolactones
Direct Parent delta valerolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acid esters
  • cyclic alcohols and derivatives
  • cyclohexanols
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • tertiary alcohols
  • Substituents
  • alcohol
  • carbonyl group
  • delta valerolactone
  • cyclohexanol
  • cyclic alcohol
  • carboxylic acid derivative
  • oxacycle
  • tertiary alcohol
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • delta_valerolactone
  • organooxygen compound