Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:17:07 UTC
Update Date2025-03-24 14:15:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00811399
Frequency1.8
Structure
Chemical FormulaC7H14O
Molecular Mass114.1045
SMILESCC(O)C(C)C1CC1
InChI KeyVNHCFSDWELHLPI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative