| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:19 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238533 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7F3O4 |
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| Molecular Mass | 236.0296 |
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| SMILES | O=C(O)C(O)c1ccc(O)c(C(F)(F)F)c1 |
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| InChI Key | QBKRZCBJZHHCJX-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl fluoridesalpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidalkyl fluorideorganofluoridealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidhydroxy acidcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolalkyl halidehydrocarbon derivativetrifluoromethylbenzeneorganooxygen compound |
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