| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:35 UTC |
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| Update Date | 2025-03-25 00:51:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186684 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6N2O5S |
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| Molecular Mass | 205.9997 |
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| SMILES | Nc1cc(=O)c(OS(=O)(=O)O)c[nH]1 |
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| InChI Key | BVZUBOABKLMTPO-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 heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesteraromatic heteromonocyclic compoundpolyhalopyridinecyclic ketoneorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinepyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary amineorganic nitrogen compoundsulfuric acid esteramineorganooxygen compound |
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