| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:30 UTC |
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| Update Date | 2025-03-21 18:03:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044568 |
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| Frequency | 75.9 |
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| Structure | |
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| Chemical Formula | C7H5F3O2 |
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| Molecular Mass | 178.0242 |
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| SMILES | Oc1ccc(OC(F)(F)F)cc1 |
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| InChI Key | WDRJNKMAZMEYOF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 4-alkoxyphenols |
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| Direct Parent | 4-alkoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl fluorideshydrocarbon derivativesorganofluoridesorganooxygen compoundsphenol ethersphenoxy compoundstrihalomethanes |
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| Substituents | halomethanephenol ethermonocyclic benzene moiety4-alkoxyphenoltrihalomethanealkyl fluorideorganofluoride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaromatic homomonocyclic compoundorganic oxygen compoundalkyl halidehydrocarbon derivativephenoxy compoundorganooxygen compound |
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