| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:51 UTC |
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| Update Date | 2025-03-21 18:28:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071358 |
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| Frequency | 42.1 |
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| Structure | |
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| Chemical Formula | C11H15NO3S |
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| Molecular Mass | 241.0773 |
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| SMILES | COc1c(C)cnc(CSCC(=O)O)c1C |
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| InChI Key | PJMHDZAJQFLTRE-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-halopyridinesalkyl aryl ethersazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl etherorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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