Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:08 UTC
Update Date2025-03-25 00:54:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02203856
Frequency0.5
Structure
Chemical FormulaC11H20O3
Molecular Mass200.1412
SMILESOC1CCC(O)(C2CCCC2)CC1O
InChI KeyXQNMVSMBYMZYIV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
  • Substituents
  • tertiary alcohol
  • cyclohexanol
  • aliphatic homomonocyclic compound
  • cyclitol or derivatives
  • hydrocarbon derivative
  • cyclic alcohol