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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:14:39 UTC
Update Date2025-03-25 00:59:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02234801
Frequency0.5
Structure
Chemical FormulaC12H15NO5
Molecular Mass253.095
SMILESCc1cccc(C)c1NC(=O)C(O)C(O)C(=O)O
InChI KeyKZDAQBCQYOZYIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass anilides
Direct Parent anilides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alpha hydroxy acids and derivatives
  • beta hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • fatty amides
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • n-arylamides
  • organic oxides
  • organopnictogen compounds
  • secondary alcohols
  • secondary carboxylic acid amides
  • m-xylenes
  • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • fatty amide
  • monosaccharide
  • n-arylamide
  • carboxylic acid derivative
  • xylene
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-diol
  • alcohol
  • m-xylene
  • hydroxy acid
  • carboxamide group
  • aromatic homomonocyclic compound
  • anilide
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound