| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:08 UTC |
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| Update Date | 2025-03-25 01:01:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H15NO6S |
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| Molecular Mass | 337.062 |
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| SMILES | Cc1ccc(OCC(=O)Nc2ccccc2OS(=O)(=O)O)cc1 |
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| InChI Key | LIZUJACVYKNBBO-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 | alkyl aryl ethersanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amidessulfuric acid monoesterstoluenes |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupethern-arylamidealkyl aryl ethercarboxylic acid derivativephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundcarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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