| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:40 UTC |
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| Update Date | 2025-03-25 00:48:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170810 |
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| Frequency | 0.5 |
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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 | COC(=O)c1cccnc1CSC |
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| InChI Key | QBXMDMOSOYQJPB-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 | pyridine-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmethyl estersmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compounds |
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| Substituents | aromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganic oxidemethyl esterorganonitrogen compoundorganopnictogen compound2-halopyridinesulfenyl compoundazacycledialkylthioetherheteroaromatic compoundmethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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