| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:15 UTC |
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| Update Date | 2025-03-25 01:00:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240691 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11Cl3O3 |
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| Molecular Mass | 259.9774 |
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| SMILES | CC(=O)OC(C(=O)C(C)C)C(Cl)(Cl)Cl |
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| InChI Key | RYHPNCPQBLJZPZ-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-acyloxy ketones |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridescarboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | aliphatic acyclic compoundalpha-acyloxy ketonealkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteralkyl halidehydrocarbon derivative |
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