Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:14:38 UTC
Update Date2025-03-21 22:13:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00519681
Frequency3.3
Structure
Chemical FormulaC7H12O
Molecular Mass112.0888
SMILESCC1=CC(C)C(O)C1
InChI KeyZPAWCZLTFYYLRL-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