| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:13 UTC |
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| Update Date | 2025-03-21 18:04:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053266 |
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| Frequency | 60.8 |
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| Structure | |
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| Chemical Formula | C10H9F3O2 |
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| Molecular Mass | 218.0555 |
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| SMILES | CC(C(=O)O)c1ccc(C(F)(F)F)cc1 |
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| InChI Key | RSLAPCSAZMQDSO-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 fluoridesaromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganofluoridestrifluoromethylbenzenes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidalkyl fluorideorganofluoridep-cymenecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidalkyl halidehydrocarbon derivativebenzenoidtrifluoromethylbenzeneorganooxygen compoundaromatic monoterpenoid |
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