| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:16 UTC |
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| Update Date | 2025-03-21 18:36:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111020 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C11H14N2O5S |
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| Molecular Mass | 286.0623 |
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| SMILES | O=C(Nc1ccc(OS(=O)(=O)O)cc1)C1CCCN1 |
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| InChI Key | QHIGRGMHQACENR-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 acid amidesalpha amino acidsanilidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatespyrrolidinecarboxamidessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundn-arylamidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfatepyrrolidineorganoheterocyclic compoundproline or derivativessecondary aliphatic amineorganic sulfuric acid or derivativesalpha-amino acid amideazacyclesecondary aminecarboxamide groupanilidesecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamidephenoxy compoundsulfuric acid esterorganooxygen compoundamine |
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