Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:27 UTC
Update Date2025-03-21 18:40:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130509
Frequency19.4
Structure
Chemical FormulaC9H11NO
Molecular Mass149.0841
SMILESCC1NCc2ccc(O)cc21
InChI KeySBUGFOYKYJMFJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classisoindoles and derivatives
Subclass isoindoles
Direct Parent isoindoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • isoindolines
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • isoindole
  • 1-hydroxy-2-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • isoindoline
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine