Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:59 UTC
Update Date2025-03-25 00:49:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171564
Frequency0.5
Structure
Chemical FormulaC12H16N2O
Molecular Mass204.1263
SMILESCN(O)CCCc1c[nH]c2ccccc12
InChI KeyTUQIIBWVJJYQBJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-organohydroxylamines
  • organic oxygen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • azacycle
  • indole
  • heteroaromatic compound
  • n-organohydroxylamine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound