Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:05 UTC
Update Date2025-03-21 18:38:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00122568
Frequency21.1
Structure
Chemical FormulaC7H12O2
Molecular Mass128.0837
SMILESCCC1CC1CC(=O)O
InChI KeyQFOJGQPRLFTAOD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acids
Direct Parent carboxylic acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • carboxylic acid
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound