| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:25 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163376 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO7S |
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| Molecular Mass | 353.0569 |
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| SMILES | O=C(Nc1ccccc1OS(=O)(=O)O)C(O)Cc1ccc(O)cc1 |
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| InChI Key | YFNIRXXSVHTPLD-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 | 1-hydroxy-2-unsubstituted benzenoidsanilidescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary alcoholssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupfatty amide1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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