| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:53 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20FN3O |
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| Molecular Mass | 313.159 |
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| SMILES | N=C(N)NCCCC1(c2ccc(F)cc2)OCc2ccccc21 |
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| InChI Key | YWXFOCICGMLKMA-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 fluoridescarboximidamidesdialkyl ethersfluorobenzenesguanidineshydrocarbon derivativesiminesisocoumaransorganofluoridesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluorideetherguanidineimineorganohalogen compounddialkyl etherfluorobenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundorganofluoridecarboximidamidearyl halideoxacycleorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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