Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:02:31 UTC
Update Date2025-03-21 22:07:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00491190
Frequency3.5
Structure
Chemical FormulaC8H14O2
Molecular Mass142.0994
SMILESOC1CC2(O)CCC1CC2
InChI KeyJSTJENAWIQEQCP-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
  • secondary alcohols
  • Substituents
  • tertiary alcohol
  • secondary alcohol
  • hydrocarbon derivative
  • cyclic alcohol
  • aliphatic homopolycyclic compound