| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:44 UTC |
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| Update Date | 2025-03-25 00:47:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159625 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO4S |
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| Molecular Mass | 239.0252 |
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| SMILES | O=Cc1c(CCC(=O)O)c[nH]c(=S)c1C=O |
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| InChI Key | QWFXCBUDSODLTL-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 | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl-aldehydesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspolyhalopyridinespyridine carboxaldehydesthiolactamsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl group3-pyridine carboxaldehydecarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundvinylogous amideazacycleheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydemonocarboxylic acid or derivativesorganic oxygen compoundthiolactamhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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