| 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 | DMID02160057 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H3Cl2NO4 |
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| Molecular Mass | 222.9439 |
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| SMILES | O=[N+]([O-])c1c(Cl)cc(O)c(O)c1Cl |
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| InChI Key | PPDOARIAPLJJCM-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 benzenoids3-chlorocatechols4-chlorocatecholsaryl chloridesdichlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsnitroaromatic compoundsnitrobenzeneso-chlorophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsp-chlorophenolspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | 4-chlorocatecholmonocyclic benzene moietyorganochlorideallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidchlorocatecholorganohalogen compound3-chlorocatecholorganic nitro compound1,3-dichlorobenzenepropargyl-type 1,3-dipolar organic compoundcatecholorganic oxide4-halophenolc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolnitrobenzenenitroaromatic compoundaryl chloride2-chlorophenolchlorobenzene3-halophenol3-chlorophenol4-chlorophenolorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compoundorganic hyponitrite |
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