| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:16 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247733 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10N2O6S |
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| Molecular Mass | 262.026 |
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| SMILES | NC(Cc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)O |
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| InChI Key | OSXFDWOPHGJQND-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 | phenols |
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| Subclass | nitrophenols |
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| Direct Parent | nitrophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesmonoalkylaminesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietyorganosulfonic acidallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundaromatic homomonocyclic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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