| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:36 UTC |
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| Update Date | 2025-03-21 18:30:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082823 |
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| Frequency | 42.6 |
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| Structure | |
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| Chemical Formula | C6H6NO5PS |
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| Molecular Mass | 234.9704 |
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| SMILES | O=[N+]([O-])c1ccc(OP(O)(O)=S)cc1 |
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| InChI Key | RAVGVZKLFHNYBZ-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 thiophosphoric acids and derivatives |
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| Subclass | thiophosphoric acid esters |
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| Direct Parent | phenyl thiophosphates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundsthiophosphate monoesters |
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| Substituents | monocyclic benzene moietyallyl-type 1,3-dipolar organic compoundthiophosphate monoesterorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundphenyl thiophosphatearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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