Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:30 UTC
Update Date2025-03-21 18:41:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00135183
Frequency18.6
Structure
Chemical FormulaC7H16O2
Molecular Mass132.115
SMILESCC(O)CC(C)(C)CO
InChI KeyPHNDFOOEKCHRTF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • secondary alcohol
  • hydrocarbon derivative