Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:05:22 UTC
Update Date2025-03-21 18:28:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00075002
Frequency39.5
Structure
Chemical FormulaC13H11N
Molecular Mass181.0891
SMILESCn1ccc2c3ccccc3ccc21
InChI KeyUTKJTNQQUYYCQC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classnaphthalenes
Subclass naphthalenes
Direct Parent naphthalenes
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • indoles
  • n-alkylindoles
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
  • substituted pyrroles
  • Substituents
  • n-methylpyrrole
  • n-alkylindole
  • azacycle
  • indole
  • heteroaromatic compound
  • indole or derivatives
  • substituted pyrrole
  • naphthalene
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound