Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:40 UTC
Update Date2025-03-21 18:03:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042498
Frequency80.4
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESC=C1CCCC(C)(O)C1
InChI KeyVTJICNFLIHZIOQ-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
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic alcohol