| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:55 UTC |
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| Update Date | 2025-03-25 00:51:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185113 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H13NO5S |
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| Molecular Mass | 307.0514 |
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| SMILES | NC(=O)Cc1ccc(OS(=O)(=O)c2ccccc2O)cc1 |
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| InChI Key | MNZALVUCASNDRM-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundsphenylacetamidesprimary carboxylic acid amidessulfonyls |
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| Substituents | primary carboxylic acid amideorganosulfonic acid or derivativesbenzenesulfonate estercarbonyl group1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundphenylacetamidebenzenesulfonyl group1-hydroxy-4-unsubstituted benzenoidcarboxamide grouporganosulfonic acid esteraromatic homomonocyclic compoundsulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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