| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:02 UTC |
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| Update Date | 2025-03-25 00:53:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199045 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O8S |
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| Molecular Mass | 332.0566 |
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| SMILES | CC1CC(=O)OC(Cc2cc(O)c(OS(=O)(=O)O)c(O)c2)C1 |
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| InChI Key | BKNWNWAZGDFYEH-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 benzenoids1-hydroxy-4-unsubstituted benzenoidscarbonyl compoundscarboxylic acid estersdelta valerolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsresorcinolssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compounddelta valerolactone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinollactonephenylsulfateorganic oxideoxanedelta_valerolactoneorganoheterocyclic compound1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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