Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:28 UTC
Update Date2025-03-21 18:35:08 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104125
Frequency26.0
Structure
Chemical FormulaC14H14N2
Molecular Mass210.1157
SMILESNCCc1c[nH]c2cc3ccccc3cc12
InChI KeyUJBJBYWXVZAACO-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
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • azacycle
  • indole
  • heteroaromatic compound
  • indole or derivatives
  • naphthalene
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound