Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:25:58 UTC
Update Date2025-03-24 21:10:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01696562
Frequency0.7
Structure
Chemical FormulaC9H14O
Molecular Mass138.1045
SMILESCCC(O)C1=CCC(C)=C1
InChI KeyNHVAWKRQTUBAGR-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