Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:40:46 UTC
Update Date2025-03-21 22:53:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00582199
Frequency2.8
Structure
Chemical FormulaC7H16O2
Molecular Mass132.115
SMILESCCC(O)(CO)C(C)C
InChI KeySWOJUZXNKUIEOE-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