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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:25 UTC
Update Date2025-03-25 00:50:34 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02181760
Frequency0.5
Structure
Chemical FormulaC12H14N2O8S
Molecular Mass346.0471
SMILESO=C(O)C1CC(O)CN1C(=O)Nc1ccc(OS(=O)(=O)O)cc1
InChI KeyDGLKYXBVHYPBCY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent proline and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-phenylureas
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • pyrrolidine carboxylic acids
  • pyrrolidinecarboxamides
  • secondary alcohols
  • sulfuric acid monoesters
  • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • phenylsulfate
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • arylsulfate
  • pyrrolidine
  • organoheterocyclic compound
  • proline or derivatives
  • alcohol
  • carbonic acid derivative
  • organic sulfuric acid or derivatives
  • azacycle
  • n-phenylurea
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound
  • pyrrolidine-1-carboxamide