| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:43 UTC |
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| Update Date | 2025-03-21 18:31:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085438 |
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| Frequency | 33.5 |
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| Structure | |
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| Chemical Formula | C6H5NO6S |
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| Molecular Mass | 218.9838 |
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| SMILES | O=C(OS(=O)(=O)O)c1ccc[nH]c1=O |
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| InChI Key | DPJUZFMQCVHMHJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinonessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterlactamaromatic heteromonocyclic compoundpyridine-3-carboxylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amideorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterpyridinoneorganooxygen compound |
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