Hmdb loader

Showing information for DMID02177548

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:34 UTC
Update Date2025-03-25 00:49:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02177548
Frequency0.5
Structure
Chemical FormulaC12H14N2O
Molecular Mass202.1106
SMILESN#Cc1ccc(OCC2CCCN2)cc1
InChI KeyXHPOCLVGTXTWGL-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
  • benzonitriles
  • dialkylamines
  • hydrocarbon derivatives
  • nitriles
  • organopnictogen compounds
  • phenoxy compounds
  • pyrrolidines
    • Substituents
  • phenol ether
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • ether
  • nitrile
  • aromatic heteromonocyclic compound
  • azacycle
  • alkyl aryl ether
  • secondary amine
  • benzonitrile
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • pyrrolidine
  • carbonitrile
  • organoheterocyclic compound
  • organooxygen compound
  • amine