Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:30:26 UTC
Update Date2025-03-21 20:57:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00415173
Frequency4.3
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC1=CCC(C)(O)C(C)C1
InChI KeyJNUPLDDJUPINBQ-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
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative