| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:40 UTC |
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| Update Date | 2025-03-25 00:59:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237083 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H5NO7S |
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| Molecular Mass | 246.9787 |
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| SMILES | O=C(Oc1ccc([N+](=O)[O-])cc1)S(=O)(=O)O |
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| InChI Key | COIJUAVUDYTFNH-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 | nitrobenzenes |
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| Direct Parent | nitrobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acylsulfonic acidscarbonyl compoundshydrocarbon derivativesnitroaromatic compoundsorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic sulfonic acids and derivativesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundssulfonylsthiolactones |
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| Substituents | acylsulfonic acidcarbonyl groupallyl-type 1,3-dipolar organic compoundorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumthiolactonenitrobenzenenitroaromatic compoundcarbonic acid derivativeacylsulfonic acid or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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