| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:53 UTC |
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| Update Date | 2025-03-21 18:28:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073887 |
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| Frequency | 40.3 |
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| Structure | |
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| Chemical Formula | C12H19NO4PS2+ |
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| Molecular Mass | 336.0488 |
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| SMILES | CCO[N+](=S)c1ccc(OP(=S)(OCC)OCC)cc1 |
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| InChI Key | PPPLWEUXCPCGTG-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 derivativesn-organohydroxylaminesorganic cationsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundssulfimidesthiophosphate triesters |
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| Substituents | monocyclic benzene moietyphenyl thiophosphaten-organohydroxylaminearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidthiophosphate triesterorganic nitrogen compoundorganic cationphenoxy compoundsulfimideorganooxygen compound |
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