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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:11:29 UTC
Update Date2025-03-25 00:57:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02227681
Frequency0.5
Structure
Chemical FormulaC15H19NO2
Molecular Mass245.1416
SMILESCC(=O)N1CCC2(CC1)Cc1ccccc1CO2
InChI KeyYAXUFVVLPWTWPS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classbenzopyrans
Subclass 2-benzopyrans
Direct Parent 2-benzopyrans
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acetamides
  • azacyclic compounds
  • benzenoids
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • n-acylpiperidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • ether
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • aromatic heteropolycyclic compound
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • piperidine
  • acetamide
  • azacycle
  • carboxamide group
  • oxacycle
  • n-acyl-piperidine
  • organic oxygen compound
  • 2-benzopyran
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound