Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:00:29 UTC
Update Date2025-03-21 18:06:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00063291
Frequency48.8
Structure
Chemical FormulaC9H18O
Molecular Mass142.1358
SMILESCC1CCC(C(C)O)CC1
InChI KeyKAUADGCMTGZSPE-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