Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:34:04 UTC
Update Date2025-03-21 22:50:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00566119
Frequency2.9
Structure
Chemical FormulaC7H14O
Molecular Mass114.1045
SMILESCC(C)C1(O)CCC1
InChI KeyQCLSNAOXCWQKHC-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
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • cyclobutanol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative