| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:40 UTC |
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| Update Date | 2025-03-21 17:57:24 UTC |
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| HMDB ID | HMDB0240374 |
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| Metabolite Identification |
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| DeepMet ID | DMID00007702 |
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| Name | Benzoic acid sulfate |
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| Frequency | 649.0 |
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| Structure | |
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| Chemical Formula | C7H6O5S |
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| Molecular Mass | 201.9936 |
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| SMILES | O=C(OS(=O)(=O)O)c1ccccc1 |
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| InChI Key | HGKLFYLYWZXWPO-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 | benzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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