| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:04 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217670 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5F3N2O4S |
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| Molecular Mass | 281.9922 |
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| SMILES | O=S(=O)(O)Oc1cccn2cc(C(F)(F)F)nc12 |
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| InChI Key | DLFMJICEDBWRDF-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-halopyridinesalkyl fluoridesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazo[1,2-a]pyridinesimidazolesn-substituted imidazolesorganic oxidesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterpolyhalopyridineorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundalkyl halidearylsulfate2-halopyridineorganoheterocyclic compoundazolen-substituted imidazoleazacyclealkyl fluorideorganofluorideheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundimidazo[1,2-a]pyridinesulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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