| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:00 UTC |
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| Update Date | 2025-03-21 18:38:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122389 |
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| Frequency | 21.1 |
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| Structure | |
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| Chemical Formula | C9H11NO3S |
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| Molecular Mass | 213.046 |
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| SMILES | CSCc1cnc(C)c(O)c1C(=O)O |
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| InChI Key | BTJGDDDGAVVCAG-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compoundsvinylogous acids |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundhydroxypyridinemethylpyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundthioetherpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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