| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:26 UTC |
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| Update Date | 2025-03-21 18:05:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056075 |
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| Frequency | 56.9 |
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| Structure | |
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| Chemical Formula | C18H21FN2O |
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| Molecular Mass | 300.1638 |
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| SMILES | CN(C)CCCC1(c2ccc(F)cc2)OCc2cccnc21 |
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| InChI Key | IXZCFBAOMGOAEF-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 derivativesmethylpyridinesorganofluoridesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinestrialkylamines |
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| Substituents | aryl fluorideetherpolyhalopyridineorganohalogen compounddialkyl etherfluorobenzenephenylbutylaminearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary amineorganoheterocyclic compoundazacycleorganofluorideheteroaromatic compoundtertiary aliphatic aminemethylpyridinearyl halideoxacyclepyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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