| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:57 UTC |
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| Update Date | 2025-03-21 18:33:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097954 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C11H12O9S |
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| Molecular Mass | 320.0202 |
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| SMILES | O=C1CCC(Cc2cc(O)c(OS(=O)(=O)O)c(O)c2O)O1 |
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| InChI Key | YXBJHCMUXWRFDR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | prenol lipids |
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| Subclass | quinone and hydroquinone lipids |
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| Direct Parent | ubiquinols |
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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 derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativelactonephenylsulfateorganic oxidearylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativestetrahydrofuranubiquinol skeleton1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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