| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:51 UTC |
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| Update Date | 2025-03-25 00:54:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207776 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N5O4S |
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| Molecular Mass | 311.0688 |
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| SMILES | Nc1ncnc2c(=S)n(C3OC(CO)C(O)C3O)cnc12 |
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| InChI Key | UNVOMZLUVKKQML-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidinethiones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsprimary alcoholsprimary aminessecondary alcoholstetrahydrofuransthiolactams |
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| Substituents | pyrimidinethionemonosaccharideorganosulfur compoundsaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamalcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundthiolactamsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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