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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:32 UTC
Update Date2025-03-25 00:49:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177483
Frequency0.5
Structure
Chemical FormulaC17H23NO5
Molecular Mass321.1576
SMILESCOCCc1ccc(OCC(=O)N2CCC(C(=O)O)CC2)cc1
InChI KeyGZRWYZABVZJBHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass tyrosols and derivatives
Direct Parent tyrosols and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-acylpiperidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenol ethers
  • phenoxy compounds
  • piperidinecarboxylic acids
  • tertiary carboxylic acid amides
  • Substituents
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • piperidinecarboxylic acid
  • tyrosol derivative
  • piperidine
  • organoheterocyclic compound
  • azacycle
  • carboxamide group
  • n-acyl-piperidine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound