| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:37 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207205 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13N5O9S |
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| Molecular Mass | 379.0434 |
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| SMILES | Nc1nc2c([nH]1)c(O)nc(=O)n2C1OC(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | UOWPYNRVNLOAJH-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 | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkaloids and derivativesalkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespurinonespyrimidonessecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoestermonosaccharidepyrimidonehydroxypyrimidinepurinonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazolealkyl sulfateorganonitrogen compoundorganopnictogen compoundazole1,2-diolalcoholcarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundxanthineoxacyclealkaloid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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