| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:56 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160065 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5ClNO6P |
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| Molecular Mass | 252.9543 |
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| SMILES | O=[N+]([O-])c1ccc(OP(=O)(O)O)cc1Cl |
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| InChI Key | KOOQEYAWGCGFTJ-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 phosphoric acids and derivatives |
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| Subclass | phosphate esters |
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| Direct Parent | phenyl phosphates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chlorideschlorobenzeneshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyorganochlorideallyl-type 1,3-dipolar organic compoundorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundaryl chloridechlorobenzeneorganic 1,3-dipolar compoundphenyl phosphatearyl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compoundorganic hyponitrite |
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