Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:13:10 UTC
Update Date2025-03-25 00:58:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02231391
Frequency0.5
Structure
Chemical FormulaC13H22O
Molecular Mass194.1671
SMILESCC1=CCCC(C)(O)C2CC(C)(C)C12
InChI KeySXHLSFWTKOBYRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • hydrocarbon derivative
  • aliphatic homopolycyclic compound