Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:46:43 UTC
Update Date2025-03-21 22:56:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00596476
Frequency2.7
Structure
Chemical FormulaC7H12O
Molecular Mass112.0888
SMILESCC1C=CC(C)(O)C1
InChI KeyUJWAOEFTYFCCCW-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