| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:44 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177937 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO7S |
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| Molecular Mass | 248.9943 |
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| SMILES | COc1cc(C(=O)O)cc(OS(=O)(=O)O)n1 |
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| InChI Key | SSMSRNNHWTZOCJ-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-halopyridinesalkyl aryl ethersazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acidssulfuric acid monoesters |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoesterethercarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealkyl aryl ethercarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfate2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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