Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:42:14 UTC
Update Date2025-03-21 22:54:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00585663
Frequency2.8
Structure
Chemical FormulaC7H12O3
Molecular Mass144.0786
SMILESOC1CC2CC(O)C(C1)O2
InChI KeyUTALMKCIHOCORG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • secondary alcohol
  • hydrocarbon derivative
  • oxane
  • organoheterocyclic compound