Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:01:37 UTC
Update Date2025-03-21 18:06:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00066017
Frequency46.3
Structure
Chemical FormulaC8H9NO
Molecular Mass135.0684
SMILESOC1Cc2ccccc2N1
InChI KeyGWXABUXUVQEBBW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkanolamines
  • azacyclic compounds
  • benzenoids
  • hydrocarbon derivatives
  • indolines
  • organooxygen compounds
  • organopnictogen compounds
  • secondary alkylarylamines
  • Substituents
  • azacycle
  • indole
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dihydroindole
  • organooxygen compound
  • amine
  • alkanolamine