| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:26 UTC |
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| Update Date | 2025-03-25 00:48:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168030 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO4S |
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| Molecular Mass | 241.0409 |
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| SMILES | CC(CSc1ncccc1C(=O)O)C(=O)O |
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| InChI Key | VLKJIJYZKZJKKH-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-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compoundsvinylogous thioesters |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundthioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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