| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:56 UTC |
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| Update Date | 2025-03-21 18:37:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115046 |
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| Frequency | 22.9 |
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| Structure | |
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| Chemical Formula | C12H8ClNO4 |
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| Molecular Mass | 265.0142 |
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| SMILES | O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2O)cc1 |
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| InChI Key | KVYQMQPIAUECHP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chlorideschlorobenzenesdiarylethershalophenolshydrocarbon derivativesm-chlorophenolsnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | diaryl etherphenol etheretherorganochlorideallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundaryl chloridechlorobenzene3-halophenol3-chlorophenolorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundorganic hyponitrite |
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