Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:17:13 UTC
Update Date2025-03-24 21:06:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01675336
Frequency0.7
Structure
Chemical FormulaC7H10N2O
Molecular Mass138.0793
SMILESCC(C(N)=O)n1cccc1
InChI KeyUJUQWXOUSFCLPL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrroles
Subclass substituted pyrroles
Direct Parent substituted pyrroles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound