| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:00 UTC |
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| Update Date | 2025-03-21 18:03:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045755 |
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| Frequency | 73.5 |
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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)c1cc(C(F)(F)F)ccc1O |
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| InChI Key | YQDOJQUHDQGQPH-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 | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsalkyl fluoridesbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compoundstrifluoromethylbenzenesvinylogous acids |
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| Substituents | carboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganohalogen compoundorganic oxidealkyl halide1-carboxy-2-haloaromatic compoundbenzoic acidtrifluoromethylbenzenealkyl fluorideorganofluoridearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compound |
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