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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172130
Frequency0.5
Structure
Chemical FormulaC16H19NO3
Molecular Mass273.1365
SMILESCN1C2CC(C(=O)OCc3ccccc3)C1CCC2=O
InChI KeyBNYRGUXWXWGDHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzyloxycarbonyls
Direct Parent benzyloxycarbonyls
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • ketones
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • piperidinones
  • pyrrolidine carboxylic acids
  • trialkylamines
  • tropane alkaloids
    • Substituents
  • benzyloxycarbonyl
  • carbonyl group
  • amino acid or derivatives
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • piperidinone
  • pyrrolidine
  • piperidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • tropane alkaloid
  • amine
  • organooxygen compound