| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:18 UTC |
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| Update Date | 2025-03-21 18:01:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034443 |
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| Frequency | 104.4 |
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| Structure | |
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| Chemical Formula | C8H12N2O4S |
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| Molecular Mass | 232.0518 |
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| SMILES | Cc1ncc(CS(=O)(=O)O)c(CN)c1O |
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| InChI Key | JMUIUPGHFIVPLK-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundorganosulfonic acidhydroxypyridineorganosulfur compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganooxygen compound |
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