| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:13 UTC |
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| Update Date | 2025-03-21 18:31:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086631 |
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| Frequency | 32.9 |
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| Structure | |
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| Chemical Formula | C9H11NO2S |
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| Molecular Mass | 197.051 |
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| SMILES | CSCc1cnc(C)c(O)c1C=O |
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| InChI Key | RADLENWZROEWLP-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 | 2-halopyridinesaryl-aldehydesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine carboxaldehydessulfenyl compoundsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinealdehydemethylpyridine4-pyridine carboxaldehydevinylogous acidorganic oxygen compoundthioetherhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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