| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:33 UTC |
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| Update Date | 2025-03-21 17:57:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009782 |
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| Frequency | 488.1 |
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| Structure | |
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| Chemical Formula | C8H9NO6S |
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| Molecular Mass | 247.0151 |
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| SMILES | Cc1ncc(COS(=O)(=O)O)c(C=O)c1O |
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| InChI Key | OJQQRWWUNXTWER-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 | pyridine carboxaldehydes |
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| Direct Parent | pyridoxals and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl sulfatesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativessulfuric acid monoesteraromatic heteromonocyclic compoundpolyhalopyridineorganic oxidearyl-aldehydealkyl sulfateorganonitrogen compoundorganopnictogen compound2-halopyridinepyridoxalorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinealdehydevinylogous acidorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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