| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:28 UTC |
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| Update Date | 2025-03-25 00:45:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152225 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O3S2 |
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| Molecular Mass | 296.0289 |
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| SMILES | NC(CSSc1ccc2cccc(O)c2n1)C(=O)O |
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| InChI Key | HAQIYVXTQDOOTM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | cysteine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridines8-hydroxyquinolinesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic disulfidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compound8-hydroxyquinolinesulfenyl compoundazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativespyridineorganic oxygen compoundorganic disulfidecysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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