Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:26 UTC
Update Date2025-03-25 00:47:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158968
Frequency0.5
Structure
Chemical FormulaC11H11N
Molecular Mass157.0891
SMILESC1=CC(=Cc2ccccc2)NC1
InChI KeyNUETYLMFVBPYSU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzene and substituted derivatives
Direct Parent benzene and substituted derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrrolines
  • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • secondary amine
  • pyrroline
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine