Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:28:14 UTC
Update Date2025-03-24 22:05:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01986476
Frequency0.6
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESOC1CCC2CCC1(O)C2
InChI KeyXHYBKMGLASBLOT-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
  • 1,2-diols
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • secondary alcohols
  • Substituents
  • tertiary alcohol
  • secondary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • 1,2-diol
  • aliphatic homopolycyclic compound