| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:11 UTC |
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| Update Date | 2025-03-25 00:50:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183449 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O9S2 |
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| Molecular Mass | 311.961 |
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| SMILES | O=C(O)Cc1cccc(OS(=O)(=O)OS(=O)(=O)O)c1 |
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| InChI Key | PMBWALFSUSCRFG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organic oxoanionic compounds |
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| Subclass | organic pyrosulfates |
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| Direct Parent | organic pyrosulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | arylsulfatescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganic sulfuric acid or derivativesorganic pyrosulfatecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativeshydrocarbon derivativearylsulfatebenzenoidphenoxy compoundorganooxygen compound |
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