| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:39:19 UTC |
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| Update Date | 2025-03-21 17:58:22 UTC |
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| HMDB ID | HMDB0240505 |
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| Metabolite Identification |
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| DeepMet ID | DMID00013910 |
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| Name | Enterolactone 3'-sulfate |
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| Frequency | 319.0 |
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| Structure | |
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| Chemical Formula | C18H18O7S |
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| Molecular Mass | 378.0773 |
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| SMILES | O=C1OCC(Cc2cccc(O)c2)C1Cc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | CGSFDOCYHBJLFW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lignans, neolignans and related compounds |
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| Class | furanoid lignans |
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| Subclass | tetrahydrofuran lignans |
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| Direct Parent | dibenzylbutyrolactone lignans |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativeslignan lactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compounddibenzylbutyrolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelignan lactonelactonephenylsulfateorganic oxidearylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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