| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:32 UTC |
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| Update Date | 2025-03-25 00:54:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204781 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5NO9S2 |
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| Molecular Mass | 298.9406 |
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| SMILES | O=[N+]([O-])c1ccc(OS(=O)(=O)OS(=O)(=O)O)cc1 |
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| InChI Key | AUZTVHSGXAYHMQ-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 | arylsulfateshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundmonocyclic benzene moietyorganic sulfuric acid or derivativesorganic pyrosulfateallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundorganic oxoazaniumphenoxy compoundorganooxygen compoundnitrobenzene |
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