| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:09 UTC |
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| Update Date | 2025-03-25 00:57:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222524 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O6S2 |
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| Molecular Mass | 304.0075 |
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| SMILES | O=C1CSC(Cc2cccc(OS(=O)(=O)O)c2)CO1 |
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| InChI Key | RQFJSHAHMVDJPG-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersdialkylthioethershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxathianesphenoxy compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1,4-oxathianecarboxylic acid derivativelactonephenylsulfateorganic oxideorganoheterocyclic compounddialkylthioetheroxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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