Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:12:00 UTC
Update Date2025-03-24 22:35:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01232783
Frequency1.1
Structure
Chemical FormulaC7H8NO2+
Molecular Mass138.055
SMILESCC(=O)Nc1cccc[o+]1
InChI KeyPLLGIZKTCRGEKO-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • oxacycle
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organoheterocyclic compound
  • acetamide
  • organooxygen compound