Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:27:35 UTC
Update Date2025-03-21 18:40:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00128458
Frequency19.8
Structure
Chemical FormulaC9H11NO
Molecular Mass149.0841
SMILESOc1ccc2c(c1)NCCC2
InChI KeyHJJRGZMJZDSMDB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classquinolines and derivatives
Subclass hydroquinolines
Direct Parent hydroquinolines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • tetrahydroquinoline
  • amine
  • organooxygen compound