| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:19 UTC |
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| Update Date | 2025-03-25 00:49:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176960 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O6S |
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| Molecular Mass | 276.0416 |
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| SMILES | CC(=O)Nc1c(CO)cnc(C)c1OS(=O)(=O)O |
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| InChI Key | YHYQJHBXYQQWBV-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-halopyridinesacetamidesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesn-acetylarylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoestercarbonyl groupn-acetylarylaminearomatic heteromonocyclic compoundpolyhalopyridinen-arylamidecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundacetamidealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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