| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:15 UTC |
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| Update Date | 2025-03-25 00:50:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183603 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O6S |
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| Molecular Mass | 260.0103 |
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| SMILES | O=C1Nc2ccccc2N(O)C1OS(=O)(=O)O |
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| InChI Key | SZCUNHQXDMRUGE-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxylamino, 2-unsubstituted benzenoids1-hydroxylamino, 4-unsubstituted benzenoidsalkyl sulfatesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativeslactamsn-organohydroxylaminesorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl grouplactamorganic oxidearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundalpha-amino acidorganopnictogen compound1-hydroxylamino, 2-unsubstituted benzenoidorganoheterocyclic compoundorganic sulfuric acid or derivativesazacyclecarboxamide groupn-organohydroxylaminesecondary carboxylic acid amideorganic oxygen compoundsulfate-ester1-hydroxylamino, 4-unsubstituted benzenoidhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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