| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:57 UTC |
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| Update Date | 2025-03-25 00:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239969 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H21FN2O |
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| Molecular Mass | 348.1638 |
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| SMILES | NCCCC1(c2ccc(F)cc2)OCc2ccc(-c3cccnc3)cc21 |
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| InChI Key | UXMHRBZVZISCAS-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 | aryl fluoridesazacyclic compoundsdialkyl ethersfluorobenzenesheteroaromatic compoundshydrocarbon derivativesisocoumaransmonoalkylaminesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridines and derivatives |
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| Substituents | aryl fluorideetherorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleorganofluorideheteroaromatic compoundaryl halideoxacyclepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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