| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187305 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO7S |
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| Molecular Mass | 260.9943 |
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| SMILES | CC(=O)OS(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | BJBNNBSDVOZDKV-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 | arylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetate saltscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid diesters |
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| Substituents | monocyclic benzene moietycarbonyl groupacetate saltallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfuric acid diesterc-nitro compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganic oxoazaniumorganic saltnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compoundorganic hyponitrite |
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