| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:55 UTC |
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| Update Date | 2025-03-21 18:29:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078826 |
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| Frequency | 37.1 |
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| Structure | |
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| Chemical Formula | C8H9NO7S |
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| Molecular Mass | 263.01 |
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| SMILES | Cc1ncc(COS(=O)(=O)O)c(C(=O)O)c1O |
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| InChI Key | LMYHTSQKOWNEDG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoestercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyridine carboxylic acidsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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