Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:11 UTC
Update Date2025-03-21 18:33:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098508
Frequency27.9
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESC=C(C)C=CC(C)(C)O
InChI KeyQWTIKCSFJFUHKV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • aliphatic acyclic compound
  • tertiary alcohol
  • hydrocarbon derivative