| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:54 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178329 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H9N3O2S |
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| Molecular Mass | 199.0415 |
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| SMILES | Cc1nnc(SCC(=O)O)nc1C |
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| InChI Key | NEXRCLWZWXUKIF-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 | 1,2,4-triazinesalkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundalkylarylthioethercarboxylic acid derivativearyl thioetherorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundtriazinehydrocarbon derivativeorganic nitrogen compound1,2,4-triazineorganoheterocyclic compoundorganooxygen compound |
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