| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:48 UTC |
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| Update Date | 2025-03-21 18:03:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042838 |
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| Frequency | 79.6 |
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| Structure | |
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| Chemical Formula | C12H14O10S |
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| Molecular Mass | 350.0308 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OC(=O)OS(=O)(=O)O |
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| InChI Key | XXDBFDIHEWPRQF-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarbonic acid derivativeorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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