| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:33 UTC |
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| Update Date | 2025-03-21 18:38:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118960 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C6H6N2O5S |
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| Molecular Mass | 217.9997 |
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| SMILES | NC(=O)c1ccc(OS(=O)(=O)O)cn1 |
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| InChI Key | XRRLVGGXSPSNPP-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-halopyridines2-heteroaryl carboxamidesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivativessulfuric acid monoesters |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativessulfuric acid monoesteraromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivative2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide grouppyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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