| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:06 UTC |
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| Update Date | 2025-03-21 18:36:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110607 |
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| Frequency | 24.1 |
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| Structure | |
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| Chemical Formula | C12H14O10S2 |
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| Molecular Mass | 382.0028 |
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| SMILES | COS(=O)(=O)Oc1cc(CC2CCC(=O)O2)cc(OS(=O)(=O)O)c1 |
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| InChI Key | YAQQQMHZSINGOS-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 | alkyl sulfatescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid diesterssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativelactonephenylsulfateorganic oxidesulfuric acid diesteralkyl sulfateorganoheterocyclic compoundtetrahydrofurangamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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