| 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 | DMID02178302 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6N4O6S |
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| Molecular Mass | 262.0008 |
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| SMILES | Cn1c(=O)[nH]c2c(OS(=O)(=O)O)nc(O)nc21 |
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| InChI Key | JXGDCIXJUVPNMT-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 | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterhydroxypyrimidinepurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundarylsulfateazolen-substituted imidazolecarbonic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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