Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:22:18 UTC |
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Update Date | 2025-03-21 18:37:29 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00115937 |
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Frequency | 22.7 |
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Structure | |
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Chemical Formula | C10H14BrO3PS |
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Molecular Mass | 323.9585 |
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SMILES | CCOP(=S)(OCC)Oc1ccc(Br)cc1 |
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InChI Key | MCPNCHTWVMMDJP-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 | aryl bromidesbromobenzeneshydrocarbon derivativesorganobromidesorganooxygen compoundsphenoxy compoundsthiophosphate triesters |
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Substituents | monocyclic benzene moietybromobenzenephenyl thiophosphateorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidthiophosphate triesterhalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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