| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:09 UTC |
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| Update Date | 2025-03-25 00:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238181 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O4S |
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| Molecular Mass | 230.0361 |
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| SMILES | O=C(O)CCCSc1cc(=O)[nH]c(=O)[nH]1 |
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| InChI Key | HVBPUOPKHDUXCZ-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 acidsfatty acylsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessulfenyl compoundsthia fatty acidsvinylogous amidesvinylogous thioesters |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundpyrimidonealkylarylthioethercarboxylic acid derivativearyl thioetherpyrimidineorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundvinylogous amidevinylogous thioestercarbonic acid derivativesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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