| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:34 UTC |
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| Update Date | 2025-03-25 00:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225647 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13F3O2 |
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| Molecular Mass | 246.0868 |
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| SMILES | CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)O |
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| InChI Key | HYFCGUVKJAVDBU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl fluoridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesphenylpropanestrifluoromethylbenzenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalkyl fluorideorganofluoridecarboxylic acid derivativeorganohalogen compoundphenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativebenzenoidtrifluoromethylbenzeneorganooxygen compound |
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