Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:43 UTC
Update Date2025-03-25 00:59:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234971
Frequency0.5
Structure
Chemical FormulaC10H13NO
Molecular Mass163.0997
SMILESCNC1CCc2cccc(O)c21
InChI KeyIQKACIYAXCLCEN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classindanes
Subclass indanes
Direct Parent indanes
Geometric Descriptor aromatic homopolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • 1-hydroxy-4-unsubstituted benzenoids
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • secondary aliphatic amine
  • 1-hydroxy-2-unsubstituted benzenoid
  • aromatic homopolycyclic compound
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • indane
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine