| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:02 UTC |
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| Update Date | 2025-03-21 18:39:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127100 |
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| Frequency | 20.1 |
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| Structure | |
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| Chemical Formula | C10H12NO6PS |
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| Molecular Mass | 305.0123 |
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| SMILES | CCOP(=S)(OC(C)=O)Oc1ccc([N+](=O)[O-])cc1 |
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| InChI Key | YOKAVBIFZGYZAU-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 | acetate saltscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganic saltsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compoundsthiophosphate triesters |
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| Substituents | monocyclic benzene moietycarbonyl groupacetate saltallyl-type 1,3-dipolar organic compoundcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumorganic saltnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundphenyl thiophosphatearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidthiophosphate triesterorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
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