| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:51 UTC |
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| Update Date | 2025-03-21 18:39:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126706 |
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| Frequency | 20.2 |
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| Structure | |
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| Chemical Formula | C18H26O15S |
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| Molecular Mass | 514.0992 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(OS(=O)(=O)O)c1)OCOC1OC(C(O)O)C(O)C(O)C1O |
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| InChI Key | WXKKGDPZHYEXSE-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 benzenoidsacetalscarbonyl compoundscarbonyl hydratescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativephenylsulfatesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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