| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:24 UTC |
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| Update Date | 2025-03-21 18:38:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123266 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C11H13N3O8S |
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| Molecular Mass | 347.0423 |
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| SMILES | O=S(=O)(O)Oc1ccc2ncn(C3OC(CO)C(O)C3O)c2n1 |
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| InChI Key | YMIXSGAXQUOLSP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary alcoholssecondary alcoholssulfuric acid monoesterstetrahydrofurans |
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| Substituents | sulfuric acid monoesterpolyhalopyridinemonosaccharideimidazopyridinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridineorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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