Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:35 UTC
Update Date2025-03-25 00:53:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200314
Frequency0.5
Structure
Chemical FormulaC12H15N3O
Molecular Mass217.1215
SMILESN=C(NC(=O)c1ccccc1)N1CCCC1
InChI KeyWUUKIFPZWFWSBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass benzoic acids and derivatives
Direct Parent benzoic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • benzoyl derivatives
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • imines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrrolidines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • guanidine
  • imine
  • benzoyl
  • benzoic acid or derivatives
  • carboximidamide
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • organooxygen compound