| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:21:20 UTC |
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| Update Date | 2025-03-24 20:43:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01541501 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C5H9ClO2 |
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| Molecular Mass | 136.0291 |
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| SMILES | COC(=O)C(C)CCl |
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| InChI Key | CHTWJLYZRAJEKG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | methyl esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chloridescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochlorides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalkyl chlorideorganochlorideorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundalkyl halidehydrocarbon derivativeorganooxygen compound |
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