| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:42 UTC |
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| Update Date | 2025-03-21 18:03:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042616 |
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| Frequency | 87.0 |
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| Structure | |
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| Chemical Formula | C9H12N2O9S |
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| Molecular Mass | 324.0264 |
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| SMILES | O=c1ccn(C2OC(CO)C(O)C2OS(=O)(=O)O)c(=O)[nH]1 |
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| InChI Key | PNJZVAAGZNJHDA-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 | alkyl sulfatesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspyrimidonessecondary alcoholssulfuric acid monoesterstetrahydrofuransvinylogous amides |
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| Substituents | sulfuric acid monoesterlactamaromatic heteromonocyclic compoundmonosaccharidepyrimidonepyrimidinesaccharideorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundpyrimidine nucleosideprimary alcoholorganoheterocyclic compoundalcoholvinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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