Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:18:57 UTC
Update Date2025-03-24 22:01:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01964235
Frequency0.6
Structure
Chemical FormulaC6H10O2
Molecular Mass114.0681
SMILESCC1(O)CC2CC1O2
InChI KeyNWIVIRLNPFZEFJ-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
  • oxetanes
  • tertiary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • cyclic alcohol
  • dialkyl ether
  • aliphatic heteropolycyclic compound
  • oxacycle
  • tertiary alcohol
  • oxetane
  • hydrocarbon derivative
  • organoheterocyclic compound