Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:24 UTC
Update Date2025-03-25 00:47:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02158874
Frequency0.5
Structure
Chemical FormulaC15H14N2
Molecular Mass222.1157
SMILESc1ccc(NCc2cc3ccccc3[nH]2)cc1
InChI KeySSQTZURIXXHEKY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzene and substituted derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • phenylalkylamines
  • pyrroles
  • secondary alkylarylamines
  • Substituents
  • monocyclic benzene moiety
  • azacycle
  • indole
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • amine