| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:16 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179119 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O6S2 |
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| Molecular Mass | 263.9762 |
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| SMILES | CSc1cc(C(=O)O)ccc1OS(=O)(=O)O |
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| InChI Key | LYPAYQQKUVMBPG-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 | alkylarylthioethersbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesm-sulfanylbenzoic acidsmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundssulfenyl compoundssulfuric acid monoestersthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarboxylic acidbenzoylalkylarylthioetherorganosulfur compoundcarboxylic acid derivativearyl thioetherphenylsulfateorganic oxidethiophenolthiophenol etherbenzoic acidm-sulfanylbenzoic acidsulfenyl compoundbenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterm-sulfanylbenzoic acid or derivativesorganooxygen compound |
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