Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:45 UTC
Update Date2025-03-25 00:58:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230411
Frequency0.5
Structure
Chemical FormulaC13H17NO2
Molecular Mass219.1259
SMILESCCc1ccc(OCC2CCC(=O)N2)cc1
InChI KeySAIZTQZHIDGHJG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenol ethers
Subclass phenol ethers
Direct Parent phenol ethers
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
  • Substituents
  • 2-pyrrolidone
  • phenol ether
  • monocyclic benzene moiety
  • carbonyl group
  • ether
  • lactam
  • aromatic heteromonocyclic compound
  • alkyl aryl ether
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • azacycle
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound