Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:21 UTC
Update Date2025-03-21 18:34:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00098937
Frequency27.8
Structure
Chemical FormulaC9H12NO5P
Molecular Mass245.0453
SMILESCOP(=O)(O)Oc1ccc(NC(C)=O)cc1
InChI KeyVYVZLSFFAGPBSI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent acetanilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkyl phosphates
  • n-acetylarylamines
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • secondary carboxylic acid amides
  • Substituents
  • carbonyl group
  • n-acetylarylamine
  • n-arylamide
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • acetanilide
  • carboxamide group
  • aromatic homomonocyclic compound
  • secondary carboxylic acid amide
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • hydrocarbon derivative
  • organic nitrogen compound
  • phenoxy compound
  • organic phosphoric acid derivative
  • alkyl phosphate
  • organooxygen compound