| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:40 UTC |
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| Update Date | 2025-03-21 18:00:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028209 |
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| Frequency | 133.8 |
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| Structure | |
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| Chemical Formula | C13H18O9S |
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| Molecular Mass | 350.0672 |
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| SMILES | COS(=O)(=O)OCOC(=O)CCC(O)Cc1ccc(O)c(O)c1 |
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| InChI Key | CHTIDBZEXOFBGE-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 | sulfuric acid esters |
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| Direct Parent | sulfuric acid diesters |
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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 estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diestercarboxylic acid esteralkyl sulfatesecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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