| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:22 UTC |
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| Update Date | 2025-03-25 01:01:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252516 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11NO6S |
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| Molecular Mass | 273.0307 |
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| SMILES | NC(CC(=O)c1ccccc1S(=O)(=O)O)C(=O)O |
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| InChI Key | IDFFCORVSISXIW-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-sulfo,2-unsubstituted aromatic compoundsalpha amino acidsaryl alkyl ketonesarylsulfonic acids and derivativesbenzenesulfonic acids and derivativesbenzenesulfonyl compoundsbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acidssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietycarboxylic acidaryl alkyl ketoneorganosulfonic acidbenzoylalpha-amino acid or derivativesbenzenesulfonateorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundbenzenesulfonyl group1-sulfo,2-unsubstituted aromatic compoundgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylarylsulfonic acid or derivativesorganic sulfonic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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