| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:56 UTC |
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| Update Date | 2025-03-21 18:04:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048003 |
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| Frequency | 69.2 |
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| Structure | |
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| Chemical Formula | C10H12N2O11S |
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| Molecular Mass | 368.0162 |
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| SMILES | O=C(O)c1cc(=O)[nH]c(=O)n1C1OC(COS(=O)(=O)O)C(O)C1O |
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| InChI Key | KCCDNXXXYHOCCO-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 | pyrimidine nucleosides |
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| Subclass | pyrimidine nucleosides |
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| Direct Parent | pyrimidine nucleosides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidinecarboxylic acidspyrimidonessecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | sulfuric acid monoesterlactamcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidepyrimidonecarboxylic acid derivativepyrimidinesaccharideorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosidepyrimidine-6-carboxylic acidorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundpyrimidine-6-carboxylic acid or derivativessulfuric acid esterorganooxygen compound |
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