| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:48 UTC |
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| Update Date | 2025-03-25 00:46:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152987 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O3S |
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| Molecular Mass | 212.0256 |
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| SMILES | NC(=O)c1ccc(CC(=O)O)[nH]c1=S |
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| InChI Key | KESYYIAWWUWLBV-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 | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesnicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspolyhalopyridinesprimary carboxylic acid amidesthiolactamsvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundthiolactamhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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