| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:11 UTC |
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| Update Date | 2025-03-21 18:05:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055502 |
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| Frequency | 57.7 |
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| Structure | |
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| Chemical Formula | C19H17F3N2O |
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| Molecular Mass | 346.1293 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCN)c1ccc(C(F)(F)F)cc1 |
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| InChI Key | WKFLRFZLJUPSHK-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesdialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstrifluoromethylbenzenes |
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| Substituents | ethernitrilealkyl fluorideorganofluorideorganohalogen compounddialkyl etheroxacyclephenylbutylamineisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitriletrifluoromethylbenzeneorganoheterocyclic compoundorganooxygen compound |
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