Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:08:06 UTC
Update Date2025-03-24 21:56:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01938633
Frequency0.6
Structure
Chemical FormulaC7H10N2
Molecular Mass122.0844
SMILESc1cc2c([nH]1)CCCN2
InChI KeyBSGMHULECQOVGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organopnictogen compound
  • hydrocarbon derivative
  • organoheterocyclic compound