| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:24 UTC |
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| Update Date | 2025-03-25 00:50:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183946 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12Cl3NO2 |
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| Molecular Mass | 354.9934 |
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| SMILES | O=C1CCC(c2cc(Cl)ccc2Oc2ccc(Cl)cc2Cl)N1 |
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| InChI Key | SJYSULKVRWACBG-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 heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdiarylethersdichlorobenzeneshydrocarbon derivativeslactamsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenylpyrrolidinespyrrolespyrrolidine-2-onessecondary carboxylic acid amides |
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| Substituents | diaryl ether2-pyrrolidonephenol ethercarbonyl groupetherlactamaromatic heteromonocyclic compoundorganochloridecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundaryl chloridechlorobenzeneazacycle2-phenylpyrrolidinecarboxamide grouparyl halidesecondary carboxylic acid amideorganic oxygen compoundpyrrolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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