Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 05:12:45 UTC
Update Date2025-03-24 14:13:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00800645
Frequency1.9
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESC=CC1C=CCC(C)(O)C1
InChI KeyVDRYYYODNPXPKQ-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