| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:09 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5NO5S |
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| Molecular Mass | 202.9888 |
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| SMILES | O=C(O)c1cc(=O)c(S(=O)O)c[nH]1 |
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| InChI Key | LQHSHCCIYMPBLI-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 acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundspolyhalopyridinessulfinic acidsvinylogous amides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinesulfinic acid derivativecyclic ketoneorganosulfur compoundcarboxylic acid derivativesulfinic acidorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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