| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:16 UTC |
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| Update Date | 2025-03-21 17:59:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020372 |
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| Frequency | 205.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O7S |
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| Molecular Mass | 347.0787 |
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| SMILES | NC(CSCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)O |
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| InChI Key | ZNSOIILNOSGEAZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | 5'-deoxyribonucleosides |
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| Subclass | 5'-deoxy-5'-thionucleosides |
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| Direct Parent | 5'-s-alkylthio-5'-deoxyribonucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidscysteine and derivativesdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonealpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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