Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:03:32 UTC
Update Date2025-03-25 00:54:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02209389
Frequency0.5
Structure
Chemical FormulaC13H24O
Molecular Mass196.1827
SMILESCC1=C(CCC(C)C)CCC(C)(O)C1
InChI KeyYDDXHBPFZJNJON-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative