| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:44 UTC |
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| Update Date | 2025-03-25 00:57:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO6S |
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| Molecular Mass | 259.0151 |
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| SMILES | CC(=O)Nc1ccc(OS(=O)(=O)O)c(C=O)c1 |
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| InChI Key | XICJILRIRXJOGI-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 | acetamidesacetanilidesbenzaldehydesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupn-acetylarylaminebenzoyln-arylamidecarboxylic acid derivativephenylsulfateorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compoundacetamideacetanilidealdehydecarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidebenzaldehydeorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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