Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:19:21 UTC
Update Date2025-03-24 14:16:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00816978
Frequency1.8
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESC=CC1(O)CC=CC(C)C1
InChI KeyQKNRCXJFCBFCOM-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