| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:30 UTC |
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| Update Date | 2025-03-21 18:29:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00075312 |
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| Frequency | 39.3 |
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| Structure | |
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| Chemical Formula | C9H13NO2S |
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| Molecular Mass | 199.0667 |
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| SMILES | CSCc1c(CO)cnc(C)c1O |
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| InChI Key | CPPVKMHXBJISPM-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-halopyridinesaromatic alcoholsazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | aromatic alcoholalcoholsulfenyl compoundaromatic heteromonocyclic compoundazacyclepolyhalopyridinedialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridineorganosulfur compoundorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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