Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:37 UTC
Update Date2025-03-25 01:00:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02241534
Frequency0.5
Structure
Chemical FormulaC14H15N
Molecular Mass197.1204
SMILESCC(Cc1ccccc1)c1ccccn1
InChI KeyQUTPKZJGTMSMJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylpropanes
Direct Parent phenylpropanes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organonitrogen compounds
  • organopnictogen compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • phenylpropane
  • pyridine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organoheterocyclic compound