| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:42 UTC |
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| Update Date | 2025-03-25 00:53:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198231 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N2O2S+ |
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| Molecular Mass | 277.1005 |
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| SMILES | Cc1cc(C[n+]2csc(CC(=O)O)c2C)cnc1C |
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| InChI Key | XNZWNCIREUUGPT-UHFFFAOYSA-O |
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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-halopyridines4,5-disubstituted thiazolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationazoleazacycleheteroaromatic compoundhydroxypyridinemethylpyridine4,5-disubstituted 1,3-thiazolemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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