| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:21 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202057 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO6S |
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| Molecular Mass | 301.062 |
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| SMILES | CS(=O)(=O)CCC(NC(=O)c1ccccc1O)C(=O)O |
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| InChI Key | HZUQBHDAGGDSLH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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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 acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssalicylamidessecondary carboxylic acid amidessulfonesthia fatty acidsvinylogous acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativesorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxamide groupsalicylamidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesthia fatty acidsulfonylorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundsulfone |
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