| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:49 UTC |
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| Update Date | 2025-03-25 00:46:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157600 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8N2O4S |
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| Molecular Mass | 216.0205 |
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| SMILES | O=C(O)CCSc1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | UUYVZLUQPFIYOF-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 | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessulfenyl compoundsvinylogous amidesvinylogous thioesters |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonealkylarylthioethercarboxylic acid derivativearyl thioetherpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidevinylogous thioestercarbonic acid derivativesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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