| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:53 UTC |
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| Update Date | 2025-03-25 00:45:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150864 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NOS |
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| Molecular Mass | 167.0405 |
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| SMILES | CC(=O)CSc1ccccn1 |
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| InChI Key | RSDVVSQQCVSWNC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkylarylthioethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesketonesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupsulfenyl compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinealkylarylthioetheraryl thioetherketoneorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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