| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:18 UTC |
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| Update Date | 2025-03-25 00:57:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225104 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N2O6S |
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| Molecular Mass | 233.9947 |
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| SMILES | Nc1ccc(OS(=O)(=O)O)nc1C(=O)O |
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| InChI Key | HHGYXQSTXOZDBI-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-halopyridinesamino acidsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridine-2-carboxylic acidssulfuric acid monoestersvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoestercarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidpolyhalopyridinecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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