Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:48:48 UTC
Update Date2025-03-21 18:01:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00035660
Frequency99.7
Structure
Chemical FormulaC9H18O
Molecular Mass142.1358
SMILESCCC(O)C1CCC(C)C1
InChI KeyXVBXWFUSZXAKJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent secondary alcohols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • Substituents
  • secondary alcohol
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative