Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:19:06 UTC |
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Update Date | 2025-03-21 18:35:57 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00108144 |
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Frequency | 24.8 |
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Structure | |
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Chemical Formula | C8H8O6S |
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Molecular Mass | 232.0042 |
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SMILES | O=C(O)c1ccc(COS(=O)(=O)O)cc1 |
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InChI Key | XSHALGLUNFTXEJ-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 |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | alkyl sulfatesbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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Substituents | sulfuric acid monoestercarboxylic acidorganic sulfuric acid or derivativesbenzoylcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzoic acidsulfuric acid esterorganooxygen compound |
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