| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:51 UTC |
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| Update Date | 2025-03-25 00:51:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187319 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26FNO2 |
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| Molecular Mass | 355.1948 |
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| SMILES | CC(=O)c1cc2c(cc1C)COC2(CCCN(C)C)c1ccc(F)cc1 |
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| InChI Key | XAUSMIDXOWKLPF-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 | acetophenonesaryl alkyl ketonesaryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | aryl fluorideetheraryl alkyl ketoneorganohalogen compounddialkyl etherketonefluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundacetophenoneorganopnictogen compoundtertiary amineorganoheterocyclic compoundorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compoundaryl ketone |
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