| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:48 UTC |
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| Update Date | 2025-03-21 18:37:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117149 |
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| Frequency | 22.4 |
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| Structure | |
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| Chemical Formula | C4H3F5O2 |
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| Molecular Mass | 178.0053 |
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| SMILES | COC(=O)C(F)(F)C(F)(F)F |
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| InChI Key | JMKJCPUVEMZGEC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | alkyl halides |
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| Subclass | alkyl fluorides |
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| Direct Parent | perfluoroalkyl carboxylic acid and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-halocarboxylic acid derivativescarbonyl compoundshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxidesorganofluorides |
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| Substituents | alpha-halocarboxylic acid or derivativesaliphatic acyclic compoundcarbonyl grouporganofluorideperfluoroalkyl carboxylic acid or derivativescarboxylic acid derivativealpha-halocarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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