Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:16 UTC
Update Date2025-03-21 18:38:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00120590
Frequency21.5
Structure
Chemical FormulaC13H22O2
Molecular Mass210.162
SMILESCC1=CCCC(C)(C)C12COC(C)(C)O2
InChI KeySFEFYWHVGVINCZ-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