| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:53 UTC |
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| Update Date | 2025-03-21 18:04:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047887 |
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| Frequency | 69.4 |
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| Structure | |
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| Chemical Formula | C11H14N2O7S |
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| Molecular Mass | 318.0522 |
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| SMILES | CSCC1OC(n2c(C(=O)O)cc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | ZWABAHFRMYEESV-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-diolsazacyclic compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidinecarboxylic acidspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransvinylogous amides |
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| Substituents | lactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosideorganonitrogen compoundorganopnictogen compoundpyrimidine-6-carboxylic acidorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativesorganooxygen compound |
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