| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:44 UTC |
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| Update Date | 2025-03-25 00:48:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166466 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO7S2 |
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| Molecular Mass | 294.982 |
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| SMILES | CC(=O)Nc1ccc(OS(=O)(=O)O)c(S(=O)O)c1 |
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| InChI Key | QFVHWTGCIGPRGF-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 | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfur compoundsphenoxy compoundssecondary carboxylic acid amidessulfinic acidssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupn-acetylarylaminesulfinic acid derivativen-arylamideorganosulfur compoundcarboxylic acid derivativesulfinic acidphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundacetamideacetanilidecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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