Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:30 UTC
Update Date2025-03-25 00:54:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209316
Frequency0.5
Structure
Chemical FormulaC9H16O3
Molecular Mass172.1099
SMILESCC1(C)COC(C)(CO)C(=O)C1
InChI KeyCHRCXDOOEFZCML-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • cyclic ketones
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • oxacyclic compounds
  • Substituents
  • alcohol
  • carbonyl group
  • ether
  • cyclic ketone
  • dialkyl ether
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • organooxygen compound