Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:15:00 UTC
Update Date2025-03-21 22:13:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00520615
Frequency3.2
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESC=CC1(C)OCC(C)O1
InChI KeyLIFCMUYKCBFRLO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass ethers
Direct Parent ketals
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxolanes
  • hydrocarbon derivatives
  • organooxygen compounds
  • oxacyclic compounds
  • Substituents
  • oxacycle
  • meta-dioxolane
  • ketal
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound