| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:43:38 UTC |
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| Update Date | 2025-03-21 17:59:49 UTC |
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| HMDB ID | HMDB0246315 |
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| Metabolite Identification |
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| DeepMet ID | DMID00023459 |
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| Name | 4-(Trifluoromethyl)benzoic acid |
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| Frequency | 167.5 |
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| Structure | |
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| Chemical Formula | C8H5F3O2 |
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| Molecular Mass | 190.0242 |
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| SMILES | O=C(O)c1ccc(C(F)(F)F)cc1 |
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| InChI Key | SWKPKONEIZGROQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | trifluoromethylbenzenes |
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| Direct Parent | trifluoromethylbenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compounds |
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| Substituents | carboxylic acidalkyl fluorideorganofluoridebenzoylbenzoic acid or derivativescarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativebenzoic acidtrifluoromethylbenzeneorganooxygen compound |
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