Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:49:29 UTC
Update Date2025-03-24 14:04:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00745418
Frequency2.0
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESC=C1C=C(C)C(C)(O)CC1
InChI KeyIKQBNCNLWVRDTE-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