Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:38:55 UTC
Update Date2025-03-21 17:58:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00012976
Frequency347.7
Structure
Chemical FormulaC9H11NO2
Molecular Mass165.079
SMILESCN1CCc2cc(O)c(O)cc21
InChI KeyOREUKLHWMRALGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1-hydroxy-2-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • dialkylarylamines
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • Substituents
  • azacycle
  • indole
  • 1-hydroxy-2-unsubstituted benzenoid
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • dialkylarylamine
  • amine
  • tertiary amine
  • organooxygen compound