| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:02 UTC |
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| Update Date | 2025-03-21 18:07:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066988 |
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| Frequency | 45.5 |
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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)c1cccc(C(F)(F)F)c1 |
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| InChI Key | JUQMRSYCLKEWAV-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 oxidesorganofluoridestrifluoromethylbenzenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidalkyl fluorideorganofluoridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidalkyl halidehydrocarbon derivativebenzenoidtrifluoromethylbenzeneorganooxygen compound |
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