| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:16 UTC |
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| Update Date | 2025-03-21 18:41:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136957 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C13H7Cl2NO |
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| Molecular Mass | 262.9905 |
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| SMILES | N#Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1 |
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| InChI Key | ZZAIAUSRLITERQ-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 chloridesbenzonitrilesdiarylethersdichlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrileorganochlorideorganohalogen compound1,3-dichlorobenzeneorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzenebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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