| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:53 UTC |
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| Update Date | 2025-03-25 00:53:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198667 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15FO3 |
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| Molecular Mass | 286.1005 |
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| SMILES | O=C1CCC(C(O)(c2ccccc2)c2ccc(F)cc2)O1 |
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| InChI Key | JBKWCHQPCDIDTH-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 | benzene and substituted derivatives |
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| Subclass | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl fluoridescarbonyl compoundscarboxylic acid estersfluorobenzenesgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesoxacyclic compoundstertiary alcoholstetrahydrofurans |
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| Substituents | aryl fluoridearomatic alcoholdiphenylmethanecarbonyl grouparomatic heteromonocyclic compoundcarboxylic acid derivativeorganohalogen compoundlactonefluorobenzeneorganic oxideorganoheterocyclic compoundalcoholtetrahydrofuranorganofluoridegamma butyrolactonearyl halideoxacycletertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativehalobenzeneorganooxygen compound |
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