| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:57 UTC |
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| Update Date | 2025-03-21 18:06:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064408 |
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| Frequency | 47.8 |
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| Structure | |
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| Chemical Formula | C15H13NO6S |
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| Molecular Mass | 335.0464 |
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| SMILES | CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | PJWMAXOKBDQLNW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesacetanilidesarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganopnictogen compoundsorganosulfonic acid estersphenoxy compoundssecondary carboxylic acid amidessulfonyls |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate estercarbonyl groupcarboxylic acidn-acetylarylaminebenzoyln-arylamideorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundbenzoic acidacetamidebenzenesulfonyl groupacetanilidebenzoic acid or derivativescarboxamide grouporganosulfonic acid esteraromatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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