Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:33 UTC
Update Date2025-03-21 18:28:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00073052
Frequency40.8
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESCC1C=CCC(C)(O)C1
InChI KeyNUFHYUTXYXLXIJ-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