Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:20:35 UTC
Update Date2025-03-24 20:16:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01396281
Frequency0.9
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCC1OC(C)(C)CC1(C)O
InChI KeyHJQFIECNRCWJDA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkyl ethers
  • hydrocarbon derivatives
  • oxacyclic compounds
  • tertiary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • tertiary alcohol
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound