Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:12:16 UTC
Update Date2025-03-24 22:36:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01233392
Frequency1.1
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESC=CC1=C(C)CC(O)CC1
InChI KeyPPVGXNUBZDQJJJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative