Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:58 UTC
Update Date2025-03-21 18:28:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00074083
Frequency40.1
Structure
Chemical FormulaC12H14N2O2
Molecular Mass218.1055
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)CO
InChI KeyXISQAKSJEHTRCC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classindoles and derivatives
Subclass indoles
Direct Parent indoles
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alcohols and polyols
  • alpha-hydroxy ketones
  • azacyclic compounds
  • benzenoids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • alcohol
  • carbonyl group
  • azacycle
  • indole
  • heteroaromatic compound
  • monosaccharide
  • alpha-hydroxy ketone
  • ketone
  • saccharide
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound