Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:43 UTC
Update Date2025-03-21 18:03:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045083
Frequency74.8
Structure
Chemical FormulaC7H12O
Molecular Mass112.0888
SMILESCC1C=CCC(O)C1
InChI KeyLGYAREJNJWAMET-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