| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:48 UTC |
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| Update Date | 2025-03-21 18:06:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064030 |
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| Frequency | 66.5 |
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| Structure | |
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| Chemical Formula | C8H10NO5PS |
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| Molecular Mass | 263.0017 |
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| SMILES | Cc1ncc(COP(O)(O)=S)c(C=O)c1O |
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| InChI Key | UASICWFRYKNUAF-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-halopyridinesaryl-aldehydesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativesthiophosphate monoestersvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridinethiophosphoric acid esterthiophosphate monoesterorganic thiophosphoric acid or derivativesorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinepyridoxalazacycleheteroaromatic compoundhydroxypyridinealdehydevinylogous acidorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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