Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:38 UTC
Update Date2025-03-25 00:45:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02150284
Frequency0.5
Structure
Chemical FormulaC10H16O2
Molecular Mass168.115
SMILESCOC(=O)C1=C(C)CC(C)CC1
InChI KeyGRWLHXPVJJIOJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent enoate esters
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • enoate ester
  • carbonyl group
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound