Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:11 UTC
Update Date2025-03-25 00:51:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190336
Frequency0.5
Structure
Chemical FormulaC14H20O3
Molecular Mass236.1412
SMILESCC(=CC1C(C)=CC(=O)CC1(C)C)CC(=O)O
InChI KeyAHAMKZIERRUJKO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent carbocyclic fatty acids
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • carboxylic acids
  • cyclohexenones
  • fatty acyls
  • hydrocarbon derivatives
  • methyl-branched fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • cyclohexenone
  • carbocyclic fatty acid
  • carbonyl group
  • carboxylic acid
  • methyl-branched fatty acid
  • cyclic ketone
  • carboxylic acid derivative
  • branched fatty acid
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound