| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:06 UTC |
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| Update Date | 2025-03-21 18:33:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095847 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C16H17FN2O |
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| Molecular Mass | 272.1325 |
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| SMILES | NCCCC1(c2ccc(F)cc2)OCc2cccnc21 |
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| InChI Key | UYNUIBMMEAEKAP-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 | 2-halopyridinesaryl fluoridesazacyclic compoundsdialkyl ethersfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | aryl fluorideetherpolyhalopyridineorganohalogen compounddialkyl etherfluorobenzenephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleorganofluorideheteroaromatic compoundaryl halideoxacyclepyridineorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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