| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:44:46 UTC |
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| Update Date | 2025-03-21 18:00:15 UTC |
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| HMDB ID | HMDB0059977 |
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| Metabolite Identification |
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| DeepMet ID | DMID00026106 |
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| Name | 4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-methyl-O-sulphate |
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| Frequency | 147.0 |
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| Structure | |
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| Chemical Formula | C12H16O9S |
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| Molecular Mass | 336.0515 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OCOS(=O)(=O)O |
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| InChI Key | YDBDCESYCNBVOY-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 | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatesecondary alcoholsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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