Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:42 UTC
Update Date2025-03-25 00:48:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02166387
Frequency0.5
Structure
Chemical FormulaC10H18O3
Molecular Mass186.1256
SMILESCC1CCC(C)(CO)OC1(C)C=O
InChI KeyRLGXNTJLYGZEHD-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
  • alcohols and polyols
  • aldehydes
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyrans
  • Substituents
  • alcohol
  • carbonyl group
  • ether
  • pyran carboxylic acid or derivatives
  • aldehyde
  • dialkyl ether
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound