| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:11 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043790 |
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| Frequency | 77.5 |
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| Structure | |
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| Chemical Formula | C13H23NO3PS+ |
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| Molecular Mass | 304.1131 |
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| SMILES | CCOP(=S)(OCC)Oc1ccc([N+](C)(C)C)cc1 |
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| InChI Key | PJKRPEAEXATOBF-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 | aminesaniline and substituted anilineshydrocarbon derivativesorganic cationsorganic saltsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsquaternary ammonium saltsthiophosphate triesters |
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| Substituents | monocyclic benzene moietyaniline or substituted anilinesquaternary ammonium saltphenyl thiophosphatearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidthiophosphate triesterorganic nitrogen compoundorganic cationphenoxy compoundorganic saltamineorganooxygen compound |
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