| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:19 UTC |
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| Update Date | 2025-03-21 18:37:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113540 |
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| Frequency | 23.3 |
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| Structure | |
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| Chemical Formula | C9H5F3O3 |
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| Molecular Mass | 218.0191 |
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| SMILES | O=C(O)c1ccccc1C(=O)C(F)(F)F |
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| InChI Key | GEHWIGQIDDOODZ-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl fluoridesalpha-haloketonesaryl alkyl ketonesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxidealpha-haloketonealkyl halide1-carboxy-2-haloaromatic compoundbenzoic acidalkyl fluorideorganofluoridebenzoic acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativeshydrocarbon derivativebenzenoidalkyl-phenylketone |
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