Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:51:28 UTC
Update Date2025-03-21 18:03:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00042044
Frequency81.5
Structure
Chemical FormulaC8H14O
Molecular Mass126.1045
SMILESCC1=CC(C)CC(O)C1
InChI KeyKFAGKKYWGQNWEO-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