| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:11 UTC |
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| Update Date | 2025-03-21 18:34:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100931 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C7H8O9S2 |
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| Molecular Mass | 299.961 |
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| SMILES | O=S(=O)(O)OCOc1ccccc1OS(=O)(=O)O |
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| InChI Key | KEAHCCUHLYYFCD-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 | alkyl sulfateshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenol ethersphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteraromatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compound |
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