Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:29 UTC
Update Date2025-03-21 18:40:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128212
Frequency19.9
Structure
Chemical FormulaC9H18O3
Molecular Mass174.1256
SMILESCC1(CO)CCC(C)(CO)OC1
InChI KeyLDNMXXABFFSNNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • Substituents
  • alcohol
  • oxacycle
  • ether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • oxane
  • dialkyl ether
  • organooxygen compound