Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:06:55 UTC
Update Date2025-03-25 00:56:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02217339
Frequency0.5
Structure
Chemical FormulaC12H20O2
Molecular Mass196.1463
SMILESC=CC1(O)CCC2(C)CCC(O)CC12
InChI KeyKYHSOLVGONDTAA-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