| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:53 UTC |
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| Update Date | 2025-03-25 00:47:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159953 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H5ClO2 |
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| Molecular Mass | 131.9978 |
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| SMILES | C=C(Cl)C(=O)C(C)=O |
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| InChI Key | BOXYHRAWHXUZDI-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 | alpha-diketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-chloroketoneschloroalkenesenoneshydrocarbon derivativesorganic oxidesorganochloridesvinyl chlorides |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundchloroalkeneorganochloridealpha,beta-unsaturated ketoneorganohalogen compoundalpha-diketonealpha-chloroketoneorganic oxidevinyl halidehaloalkenealpha-haloketonehydrocarbon derivativeacryloyl-groupvinyl chlorideenone |
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