Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:39:25 UTC
Update Date2025-03-25 01:31:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02430733
Frequency0.5
Structure
Chemical FormulaC8H16O2
Molecular Mass144.115
SMILESCCC1CC1C(C)(O)CO
InChI KeyCXMRSDAGOUBKOH-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
  • 1,2-diols
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • 1,2-diol