| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:33 UTC |
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| Update Date | 2025-03-21 18:01:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035051 |
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| Frequency | 102.0 |
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| Structure | |
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| Chemical Formula | C9H11NO6S |
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| Molecular Mass | 261.0307 |
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| SMILES | COS(=O)(=O)Oc1ccccc1NC(=O)CO |
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| InChI Key | RBCFBSHOVXXFLN-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 | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alcohols and polyolsalkyl sulfatesanilidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amidessulfuric acid diesters |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupn-arylamidecarboxamide groupcarboxylic acid derivativearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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