| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:51 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253566 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20O10S |
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| Molecular Mass | 380.0777 |
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| SMILES | O=C(CCC(O)Cc1ccc(O)c(O)c1)OS(=O)(=O)OCC(O)CO |
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| InChI Key | MCIBUKBIIYKYMB-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 compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfuric acid diesteralkyl sulfatesecondary alcoholphenolhydrocarbon derivativebenzenoidprimary alcoholorganooxygen compound |
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