| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:19 UTC |
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| Update Date | 2025-03-25 00:47:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163185 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O10S |
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| Molecular Mass | 378.0621 |
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| SMILES | O=C(O)C1(O)CC(O)C(CO)C(Cc2cccc(OS(=O)(=O)O)c2)O1 |
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| InChI Key | WXWJJYVZQYDMMG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | c-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidshemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphenylsulfatesprimary alcoholspyran carboxylic acidssecondary alcoholssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy acidcarboxylic acid derivativepyran carboxylic acidphenylsulfateorganic oxidehemiacetalarylsulfateoxaneprimary alcoholorganoheterocyclic compoundc-glucuronidealcoholpyran carboxylic acid or derivativesorganic sulfuric acid or derivativeshydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid ester |
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