| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:05 UTC |
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| Update Date | 2025-03-25 00:56:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217710 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H18O10S |
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| Molecular Mass | 438.0621 |
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| SMILES | O=C1CCC(Cc2cc3c(c(OS(=O)(=O)O)c2)OCC(c2ccc(O)c(O)c2)O3)O1 |
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| InChI Key | UDZNFZFGRROVPR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzo-1,4-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersarylsulfatesbenzene and substituted derivativesbenzo-1,4-dioxanescarbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxinssulfuric acid monoesterstetrahydrofurans |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compoundarylsulfate2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxaneorganic sulfuric acid or derivativestetrahydrofuran1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxincarboxylic acid estersulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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