Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:58 UTC
Update Date2025-03-25 00:51:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185222
Frequency0.5
Structure
Chemical FormulaC12H13N3O2
Molecular Mass231.1008
SMILESNC(=O)NCC(=O)Cc1c[nH]c2ccccc12
InChI KeyLECTVSVHFGFURJ-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
  • ketones
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrroles
  • Substituents
  • carbonyl group
  • carbonic acid derivative
  • azacycle
  • indole
  • heteroaromatic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • organooxygen compound