| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:00 UTC |
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| Update Date | 2025-03-21 18:04:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048166 |
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| Frequency | 68.9 |
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| Structure | |
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| Chemical Formula | C7H6O10S2 |
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| Molecular Mass | 313.9402 |
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| SMILES | O=C(O)c1ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c1 |
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| InChI Key | OQJVPDPCTDBYQQ-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 | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoylbenzoic acid or derivativescarboxylic acid derivativearomatic homomonocyclic compoundphenylsulfateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidbenzoic acidphenoxy compoundsulfuric acid esterorganooxygen compound |
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