| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:22 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 | DMID02202071 |
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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)Oc1ccc(C(N)=O)cn1 |
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| InChI Key | CTDNHMFRAXFSMG-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 compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethanesulfonatesmethylpyridinesnicotinamidesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acid esterspolyhalopyridinesprimary carboxylic acid amidessulfonic acid esterssulfonyls |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesorganosulfonic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridinenicotinamideorganosulfur compoundcarboxylic acid derivativesulfonic acid esterorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundmethylpyridinecarboxamide grouporganosulfonic acid estermethanesulfonatesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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