| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:50 UTC |
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| Update Date | 2025-03-21 18:06:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064141 |
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| Frequency | 48.0 |
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| Structure | |
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| Chemical Formula | C11H12O8S |
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| Molecular Mass | 304.0253 |
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| SMILES | O=C1CCC(Cc2cc(O)c(OS(=O)(=O)O)cc2O)O1 |
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| InChI Key | MZXZDZUHDKCCFK-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 | 1-hydroxy-2-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeshydroquinonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonephenylsulfateorganic oxideorganoheterocyclic compoundtetrahydrofurangamma butyrolactonehydroquinoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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