| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:24 UTC |
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| Update Date | 2025-03-21 18:00:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025241 |
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| Frequency | 153.1 |
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| Structure | |
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| Chemical Formula | C6H4ClNO3 |
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| Molecular Mass | 172.988 |
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| SMILES | O=[N+]([O-])c1cc(Cl)ccc1O |
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| InChI Key | NWSIFTLPLKCTSX-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 | phenols |
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| Subclass | nitrophenols |
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| Direct Parent | nitrophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzeneshalophenolshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenolspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyorganochlorideallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxide4-halophenolc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundaryl chloridechlorobenzene4-chlorophenolorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundorganic hyponitrite |
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