| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:09 UTC |
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| Update Date | 2025-03-21 18:00:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00029349 |
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| Frequency | 127.4 |
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| Structure | |
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| Chemical Formula | C20H19FN2O2 |
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| Molecular Mass | 338.1431 |
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| SMILES | CC(=O)NCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 |
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| InChI Key | MJXCQDCWTBXXPG-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 | acetamidesaryl fluoridescarbonyl compoundscarboxylic acids and derivativesdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amides |
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| Substituents | aryl fluoridecarbonyl groupethernitrilecarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundacetamideorganofluoridecarboxamide grouparyl halideoxacyclesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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