| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:28 UTC |
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| Update Date | 2025-03-21 18:38:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123420 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C11H12O10S |
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| Molecular Mass | 336.0151 |
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| SMILES | O=C1OCC(Cc2cc(O)c(O)c(OCOS(=O)(=O)O)c2)O1 |
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| InChI Key | WPYLFCDQVVJFAA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatescarbonic acid diesterscarbonyl compoundshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietymeta-dioxolanesulfuric acid monoestercarbonyl groupcarbonic acid derivativeorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundcarbonic acid diester1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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