| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:05 UTC |
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| Update Date | 2025-03-21 18:36:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110540 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C7H8N2O5S |
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| Molecular Mass | 232.0154 |
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| SMILES | CC(=O)Nc1cccnc1OS(=O)(=O)O |
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| InChI Key | VPGVALZJBLTEBV-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesn-acetylarylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundpolyhalopyridinen-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundacetamideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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