| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:53 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219602 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12Cl3NO2 |
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| Molecular Mass | 294.9934 |
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| SMILES | COc1ccc(C(NC(C)=O)C(Cl)(Cl)Cl)cc1 |
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| InChI Key | BGZBFASBHYODFN-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalkyl aryl ethersalkyl chloridescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupetheralkyl chlorideorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundalkyl halideacetamidecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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