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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:19 UTC
Update Date2025-03-25 00:49:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02174603
Frequency0.5
Structure
Chemical FormulaC22H35NO3
Molecular Mass361.2617
SMILESCCCC=CCCCCCCCC(=O)NCc1ccc(OC)c(OC)c1
InChI KeyOTFKJDDKPMYFEW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • phenol ether
  • carbonyl group
  • ether
  • fatty amide
  • alkyl aryl ether
  • carboxylic acid derivative
  • dimethoxybenzene
  • organic oxide
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • carboxamide group
  • n-acyl-amine
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound