| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:18 UTC |
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| Update Date | 2025-03-21 18:04:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051182 |
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| Frequency | 63.9 |
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| Structure | |
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| Chemical Formula | C13H18N2O8S |
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| Molecular Mass | 362.0784 |
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| SMILES | O=C(O)C(O)CCSCC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O |
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| InChI Key | XOADNQNQQGWBFL-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 | alpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylsheteroaromatic compoundshydrocarbon derivativeshydroxy fatty acidslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonessecondary alcoholssulfenyl compoundstetrahydrofuransthia fatty acidsvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidmonosaccharidepyrimidoneorganosulfur compoundcarboxylic acid derivativepyrimidinesaccharideorganic oxide5'-s-alkylthio-5'-deoxyribonucleosideorganonitrogen compoundorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativesulfenyl compoundazacycletetrahydrofurandialkylthioetherheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioethersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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