| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:15 UTC |
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| Update Date | 2025-03-21 17:56:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00002027 |
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| Frequency | 3021.0 |
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| Structure | |
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| Chemical Formula | C7H6O8S |
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| Molecular Mass | 249.9783 |
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| SMILES | O=C(OS(=O)(=O)O)c1cc(O)c(O)c(O)c1 |
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| InChI Key | ZMVSVMMEVKQXSO-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 | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativespyrogallol derivativebenzoyl1-hydroxy-2-unsubstituted benzenoidbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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