Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:21 UTC
Update Date2025-03-25 00:56:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218324
Frequency0.5
Structure
Chemical FormulaC11H14N2O2
Molecular Mass206.1055
SMILESCNCCc1c[nH]c2ccc(O)c(O)c12
InChI KeyINBAATTWZWLWSK-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
  • 1-hydroxy-4-unsubstituted benzenoids
  • azacyclic compounds
  • benzenoids
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organooxygen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • secondary aliphatic amine
  • azacycle
  • indole
  • heteroaromatic compound
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • secondary amine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound
  • amine