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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:06 UTC
Update Date2025-03-25 00:45:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02151361
Frequency0.5
Structure
Chemical FormulaC15H22N2O3
Molecular Mass278.163
SMILESN=C(N)Cc1ccc(OCCCCCCC(=O)O)cc1
InChI KeyARUSXLSASAIABQ-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 aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • amidines
  • amino fatty acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • medium-chain hydroxy acids and derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • Substituents
  • carbocyclic fatty acid
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • amidine
  • alkyl aryl ether
  • carboxylic acid derivative
  • medium-chain hydroxy acid
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • carboximidamide
  • amino fatty acid
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound