Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 14:51:25 UTC |
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Update Date | 2025-03-25 00:50:34 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02181760 |
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Frequency | 0.5 |
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Structure | |
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Chemical Formula | C12H14N2O8S |
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Molecular Mass | 346.0471 |
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SMILES | O=C(O)C1CC(O)CN1C(=O)Nc1ccc(OS(=O)(=O)O)cc1 |
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InChI Key | DGLKYXBVHYPBCY-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | organic acids and derivatives |
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Class | carboxylic acids and derivatives |
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Subclass | amino acids, peptides, and analogues |
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Direct Parent | proline and derivatives |
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Geometric Descriptor | aromatic heteromonocyclic compounds |
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Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-phenylureasorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatespyrrolidine carboxylic acidspyrrolidinecarboxamidessecondary alcoholssulfuric acid monoesters |
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Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundphenylsulfateorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatepyrrolidineorganoheterocyclic compoundproline or derivativesalcoholcarbonic acid derivativeorganic sulfuric acid or derivativesazacyclen-phenylureamonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundpyrrolidine-1-carboxamide |
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