| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:37 UTC |
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| Update Date | 2025-03-25 00:53:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200405 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO3S |
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| Molecular Mass | 185.0147 |
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| SMILES | Cc1ncc(S)c(C(=O)O)c1O |
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| InChI Key | HTUAWPVRJBEOKM-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 compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesthiolsvinylogous acids |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinearylthiolvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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