Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:18 UTC
Update Date2025-03-21 18:41:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00134726
Frequency18.7
Structure
Chemical FormulaC18H26O3
Molecular Mass290.1882
SMILESO=C(O)CCCCCCCCCCC(=O)c1ccccc1
InChI KeyAIBIOBBZAJSTGO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alkyl-phenylketones
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl alkyl ketones
  • benzoyl derivatives
  • butyrophenones
  • carbocyclic fatty acids
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • monocarboxylic acids and derivatives
  • organic oxides
  • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carboxylic acid
  • aryl alkyl ketone
  • benzoyl
  • fatty acid
  • carboxylic acid derivative
  • butyrophenone
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • hydrocarbon derivative
  • medium-chain fatty acid
  • benzenoid
  • alkyl-phenylketone