Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:48:05 UTC
Update Date2025-03-21 20:03:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00314991
Frequency6.2
Structure
Chemical FormulaC7H14O2
Molecular Mass130.0994
SMILESCCC1COC(C)(C)O1
InChI KeyLMERDWJSLPPMRK-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