| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:02 UTC |
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| Update Date | 2025-03-21 18:34:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103071 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C12H16O7S |
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| Molecular Mass | 304.0617 |
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| SMILES | O=C(CCC(CO)Cc1cccc(O)c1)OS(=O)(=O)O |
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| InChI Key | YETFAZXTQPNKKK-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 oxidesprimary 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 compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid esterprimary alcoholorganooxygen compound |
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