| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:47:43 UTC |
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| Update Date | 2025-03-21 18:50:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00175780 |
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| Frequency | 27.7 |
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| Structure | |
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| Chemical Formula | C7H6N4O3S |
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| Molecular Mass | 226.0161 |
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| SMILES | O=C(O)CSc1nc2nc[nH]c2c(=O)[nH]1 |
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| InChI Key | MGMKXTOVQNCAQM-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 | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkylarylthioethersazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspurines and purine derivativespyrimidonessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonealkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolesulfenyl compoundazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhypoxanthinehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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