| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:10 UTC |
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| Update Date | 2025-03-21 18:32:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093637 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C15H13FO2 |
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| Molecular Mass | 244.09 |
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| SMILES | CC(C(=O)O)c1ccc(-c2ccc(F)cc2)cc1 |
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| InChI Key | MSVCNANNDFVTEL-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 | aromatic monoterpenoidsaryl fluoridescarbonyl compoundscarboxylic acidsfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesorganofluorides |
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| Substituents | aryl fluoridemonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidorganofluoridep-cymenecarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundfluorobenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compoundaromatic monoterpenoid |
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