Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:33 UTC
Update Date2025-03-21 18:06:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00065833
Frequency46.4
Structure
Chemical FormulaC6H14O2
Molecular Mass118.0994
SMILESCC(C)(O)C(C)(C)O
InChI KeyIVDFJHOHABJVEH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,2-diols
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • tertiary alcohol
  • hydrocarbon derivative
  • 1,2-diol