| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:59 UTC |
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| Update Date | 2025-03-25 01:01:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H8Cl3NO2 |
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| Molecular Mass | 326.9621 |
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| SMILES | COc1cc(Cl)ccc1Oc1c(Cl)cc(C#N)cc1Cl |
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| InChI Key | QEMLZCZYXXOAAJ-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 | alkyl aryl ethersanisolesaryl chloridesbenzonitrilesdiarylethersdichlorobenzeneshydrocarbon derivativesmethoxybenzenesnitrilesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | diaryl etherphenol etherethernitrileorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneorganonitrogen compoundorganopnictogen compoundcarbonitrilearyl chloridechlorobenzenemethoxybenzenebenzonitrilearyl halidearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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