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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:13 UTC
Update Date2025-03-25 00:46:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02154001
Frequency0.5
Structure
Chemical FormulaC12H17NO3
Molecular Mass223.1208
SMILESCOc1cccc(CCC(=O)NCCO)c1
InChI KeyDRTLSSMXAHUOOL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass anisoles
Direct Parent anisoles
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • alkyl aryl ethers
  • carbonyl compounds
  • carboxylic acids and derivatives
  • fatty amides
  • hydrocarbon derivatives
  • methoxybenzenes
  • n-acylethanolamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • fatty amide
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • alkanolamine
  • alcohol
  • carboxamide group
  • n-acylethanolamine
  • methoxybenzene
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • anisole
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound