| 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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