| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:12 UTC |
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| Update Date | 2025-03-25 00:47:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160638 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H5Cl3O2 |
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| Molecular Mass | 249.9355 |
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| SMILES | O=C(C(=O)C(Cl)(Cl)Cl)c1ccccc1 |
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| InChI Key | TZCSFIZQJCPMKT-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 | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl chloridesalpha-chloroketonesalpha-diketonesaryl ketoneshydrocarbon derivativesorganic oxidesorganochlorides |
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| Substituents | carbonyl groupalkyl chlorideorganochloridebenzoylorganohalogen compoundalpha-diketonealpha-chloroketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-haloketonealkyl halidehydrocarbon derivativeorganooxygen compoundaryl ketone |
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