| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:47 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166568 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9Cl3N2O2 |
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| Molecular Mass | 269.973 |
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| SMILES | CC(=O)OC(c1cn(C)cn1)C(Cl)(Cl)Cl |
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| InChI Key | VXPIZMSLBJATEK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | azoles |
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| Subclass | imidazoles |
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| Direct Parent | n-substituted imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacyclealkyl chlorideorganochlorideheteroaromatic compoundcarboxylic acid derivativeorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundn-substituted imidazole |
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