| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:13 UTC |
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| Update Date | 2025-03-25 00:50:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181317 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9F7O3 |
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| Molecular Mass | 334.044 |
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| SMILES | O=C(O)CCc1ccc(OC(F)(F)C(F)(F)C(F)(F)F)cc1 |
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| InChI Key | QODYEAMNRYFSLI-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 oxidesorganofluoridesphenol ethersphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidalkyl fluorideorganofluoridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalkyl halidehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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