| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:51 UTC |
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| Update Date | 2025-03-25 00:57:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224130 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7ClO3 |
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| Molecular Mass | 186.0084 |
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| SMILES | O=C(CCl)c1cc(O)ccc1O |
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| InChI Key | LBQJAEBXOIEKLM-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl chloridesalpha-chloroketonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativeshydroquinonesorganic oxidesorganochloridesorganooxygen compoundsvinylogous acids |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonealkyl chlorideorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundalpha-chloroketonehydroquinonearomatic homomonocyclic compoundvinylogous acidorganic oxidephenolalpha-haloketonealkyl halidehydrocarbon derivativebenzenoidalkyl-phenylketone |
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