| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:13 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201738 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12O6S |
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| Molecular Mass | 296.0355 |
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| SMILES | Cc1ccc(-c2c(O)cc(O)cc2OS(=O)(=O)O)cc1 |
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| InChI Key | VXEOKLOUWWEWRZ-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 | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsresorcinolssulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoester1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidresorcinolaromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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