| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:13 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120481 |
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| Frequency | 21.6 |
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| Structure | |
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| Chemical Formula | C12H15NO5S |
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| Molecular Mass | 285.0671 |
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| SMILES | NC(CCSCC(=O)c1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | UWTKKDFJFIJNFV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsaryl alkyl ketonesbenzoyl derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compoundsthia fatty acids |
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| Substituents | fatty acylmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidsulfenyl compounddialkylthioether1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesthia fatty acidthioetherphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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