Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:44:54 UTC
Update Date2025-03-24 21:45:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01883971
Frequency0.6
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESCC=C1C=CC(C)(O)CC1
InChI KeyAYSQDSGUGNMKPT-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