| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:49 UTC |
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| Update Date | 2025-03-21 18:34:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100056 |
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| Frequency | 32.5 |
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| Structure | |
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| Chemical Formula | C6H5NO2S |
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| Molecular Mass | 155.0041 |
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| SMILES | O=C(O)c1cccc(=S)[nH]1 |
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| InChI Key | XAZPTGPAFUAPBU-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundsthiolactams |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridineorganosulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativespyridine-2-carboxylic acidorganic oxygen compoundthiolactamorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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