| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:06 UTC |
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| Update Date | 2025-03-21 18:32:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088637 |
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| Frequency | 32.0 |
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| Structure | |
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| Chemical Formula | C11H12ClNO2 |
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| Molecular Mass | 225.0557 |
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| SMILES | CC(=O)NCCC(=O)c1cccc(Cl)c1 |
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| InChI Key | UWLCGMZJMOMGRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesaryl alkyl ketonesaryl chloridesbenzoyl derivativescarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidearyl chloridechlorobenzenecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenealkyl-phenylketone |
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