| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187310 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6Cl2O3 |
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| Molecular Mass | 219.9694 |
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| SMILES | CC(=O)c1cc(Cl)c(O)c(Cl)c1O |
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| InChI Key | UWNCILLRLCVHSW-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 | acetophenonesaryl alkyl ketonesaryl chloridesbenzoyl derivativesdichlorobenzeneshalophenolshydrocarbon derivativeso-chlorophenolsorganic oxidesorganochloridesorganooxygen compoundsp-chlorophenolsresorcinolsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneorganochloridebenzoylorganohalogen compoundresorcinol1,3-dichlorobenzeneorganic oxide4-halophenolacetophenonearyl chloride2-chlorophenolchlorobenzene4-chlorophenolaryl halidearomatic homomonocyclic compound2-halophenolvinylogous acidphenolhydrocarbon derivativebenzenoidhalobenzenealkyl-phenylketone |
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