| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:47 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166560 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H6F8O2 |
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| Molecular Mass | 274.024 |
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| SMILES | CC(=O)OCC(F)C(F)(F)C(F)(F)C(F)(F)F |
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| InChI Key | BNQFTIJEPLMWQJ-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 | carboxylic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl fluoridescarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluorides |
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| Substituents | aliphatic acyclic compoundcarbonyl groupalkyl fluorideorganofluorideorganohalogen compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativeorganooxygen compound |
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