| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:48 UTC |
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| Update Date | 2025-03-25 00:48:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171132 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO8S |
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| Molecular Mass | 276.9892 |
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| SMILES | COS(=O)(=O)Oc1ccc(C(=O)O)cc1[N+](=O)[O-] |
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| InChI Key | TYAQWMORISNHBH-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | nitrobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesarylsulfatesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfuric acid diesters |
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| Substituents | carboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidesulfuric acid diesterc-nitro compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundarylsulfateorganic oxoazaniumbenzoic acidnitrobenzenenitroaromatic compoundorganic sulfuric acid or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundnitrobenzoatephenoxy compoundsulfuric acid esterorganooxygen compoundorganic hyponitrite |
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