| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:26 UTC |
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| Update Date | 2025-03-21 18:41:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132813 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C12H6Cl3NO3 |
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| Molecular Mass | 316.9413 |
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| SMILES | O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1 |
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| InChI Key | SDEVFRSHCRPEJZ-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 | aryl chloridesdiarylethersdichlorobenzeneshydrocarbon derivativesnitroaromatic 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 compoundorganohalogen compoundorganic nitro compound1,3-dichlorobenzenepropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrobenzenenitroaromatic compoundaryl chloridechlorobenzeneorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compoundorganic hyponitrite |
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