Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:52:53 UTC
Update Date2025-03-24 20:56:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01616352
Frequency0.8
Structure
Chemical FormulaC7H12O
Molecular Mass112.0888
SMILESCC1(O)CCC2CC21
InChI KeyAFHUGZNCXUSLCD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent tertiary alcohols
Geometric Descriptor aliphatic homopolycyclic compounds
Alternative Parents
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • Substituents
  • tertiary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • aliphatic homopolycyclic compound