Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:36:53 UTC
Update Date2025-03-21 19:59:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00289594
Frequency6.9
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=CC1(C)OCCC1O
InChI KeyCHCTZIWECNYTMQ-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
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • ether
  • tetrahydrofuran
  • monosaccharide
  • dialkyl ether
  • oxacycle
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • hydrocarbon derivative
  • organoheterocyclic compound