| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:59 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155785 |
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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 | CSc1ncc(CO)c(O)c1C=O |
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| InChI Key | PYIMUWPXTNIUOB-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-halopyridinesalkylarylthioethersaromatic alcoholsaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydessulfenyl compoundsvinylogous acidsvinylogous thioesters |
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| Substituents | aromatic alcoholpyridine carboxylic acid or derivatives3-pyridine carboxaldehydearomatic heteromonocyclic compoundpolyhalopyridinealkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholvinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinealdehydemethylpyridinevinylogous acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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