Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:23:24 UTC
Update Date2025-03-24 20:18:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01402942
Frequency0.9
Structure
Chemical FormulaC7H14O
Molecular Mass114.1045
SMILESCC(O)C1CC1(C)C
InChI KeyAKQRSQFZYZHSBT-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