| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:34 UTC |
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| Update Date | 2025-03-25 00:50:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179792 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14N2O4S |
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| Molecular Mass | 294.0674 |
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| SMILES | COc1ccc2[nH]c(=O)cc(SCC(N)C(=O)O)c2c1 |
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| InChI Key | KDJOESIPHMCLCJ-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 | 2-halopyridinesalkyl aryl ethersalkylarylthioethersalpha amino acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridineslactamsmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridinonessulfenyl compoundsvinylogous thioesters |
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| Substituents | phenol ethercarbonyl groupetherlactamcarboxylic acidpolyhalopyridinealkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolinealpha-amino acidorganopnictogen compound2-halopyridineorganoheterocyclic compoundvinylogous thioestersulfenyl compoundazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinemethylpyridinemonocarboxylic acid or derivativesdihydroquinolonepyridineorganic oxygen compoundthioetheranisolecysteine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundpyridinoneorganooxygen compound |
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