Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:04 UTC
Update Date2025-03-21 18:02:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00036307
Frequency97.5
Structure
Chemical FormulaC11H15NO
Molecular Mass177.1154
SMILESOc1cccc(CC2CCCN2)c1
InChI KeyNSTMNLOYDTYOBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classphenols
Subclass 1-hydroxy-2-unsubstituted benzenoids
Direct Parent 1-hydroxy-2-unsubstituted benzenoids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzene and substituted derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • secondary aliphatic amine
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • organooxygen compound
  • amine