| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:51 UTC |
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| Update Date | 2025-03-21 18:39:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126694 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C7H7NO4S |
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| Molecular Mass | 201.0096 |
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| SMILES | Nc1ccccc1C(=O)S(=O)(=O)O |
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| InChI Key | WYFLELMZRJJCMK-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acylsulfonic acidsamino acids and derivativesbenzoyl derivativescarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganic sulfonic acids and derivativesorganooxygen compoundsorganopnictogen compoundsprimary aminessulfonylsthiobenzoic acids and derivativesthiolactonesvinylogous amides |
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| Substituents | acylsulfonic acidamino acid or derivativesbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundthiolactonethiobenzoic acid or derivativesvinylogous amideacylsulfonic acid or derivativesbenzoic acid or derivativesaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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