| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:21 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202064 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O4S |
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| Molecular Mass | 216.0205 |
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| SMILES | CS(=O)(=O)Nc1ncccc1C(=O)O |
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| InChI Key | MZIICMIZDCRCBR-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-halopyridinesaminosulfonyl compoundsazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidolactamsmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamidespolyhalopyridinesvinylogous amides |
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| Substituents | organosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamvinylogous amideazacycleaminosulfonyl compoundheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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