| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:13 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176724 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO4S |
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| Molecular Mass | 210.9939 |
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| SMILES | O=C(O)c1cc(=O)c2scc(O)c2[nH]1 |
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| InChI Key | FZVRMXLWWIGECX-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 | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesthiophenesvinylogous amides |
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| Substituents | vinylogous amidecarboxylic acidazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinethiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridine-2-carboxylic acidorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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