Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 02:07:21 UTC
Update Date2025-03-21 20:47:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00360395
Frequency5.2
Structure
Chemical FormulaC9H16O
Molecular Mass140.1201
SMILESCC1=CC(C)CC(C)(O)C1
InChI KeyKQUBLHAZMXXCJS-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