| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:56 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO7S |
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| Molecular Mass | 248.9943 |
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| SMILES | O=[N+]([O-])c1cc(C(O)S(=O)(=O)O)ccc1O |
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| InChI Key | ACMONQIWJZSWBK-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 benzenoidsaromatic alcoholshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonic acidspropargyl-type 1,3-dipolar organic compoundssulfonyls |
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| Substituents | aromatic alcoholorganosulfonic 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 derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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