| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:06 UTC |
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| Update Date | 2025-03-21 18:35:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108142 |
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| Frequency | 24.8 |
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| Structure | |
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| Chemical Formula | C8H5F3O3 |
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| Molecular Mass | 206.0191 |
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| SMILES | O=C(O)c1ccccc1OC(F)(F)F |
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| InChI Key | JMYSPFGUBNENSE-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl fluoridesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundsphenol ethersphenoxy compoundstrihalomethanes |
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| Substituents | halomethanephenol ethertrihalomethanecarboxylic acidalkyl fluorideorganofluoridebenzoylcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
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