Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:54:57 UTC
Update Date2025-03-24 14:06:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00758572
Frequency2.0
Structure
Chemical FormulaC8H12O
Molecular Mass124.0888
SMILESC#CC1(O)CCCCC1
InChI KeyQYLFHLNFIHBCPR-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
  • acetylides
  • cyclic alcohols and derivatives
  • hydrocarbon derivatives
  • tertiary alcohols
  • ynones
  • Substituents
  • tertiary alcohol
  • acetylide
  • cyclohexanol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • cyclic alcohol
  • ynone