| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:21 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181595 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO3S |
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| Molecular Mass | 199.0303 |
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| SMILES | O=C(O)CCSc1cccc(O)n1 |
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| InChI Key | IBKQOVRFVOZYAK-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-halopyridinesalkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinesulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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