| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:04 UTC |
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| Update Date | 2025-03-21 18:29:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076721 |
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| Frequency | 38.3 |
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| Structure | |
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| Chemical Formula | C18H20FNO |
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| Molecular Mass | 285.1529 |
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| SMILES | CN(C)CCC1(c2ccc(F)cc2)OCc2ccccc21 |
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| InChI Key | MDLGDPHSMQVUTR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | isocoumarans |
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| Subclass | isocoumarans |
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| Direct Parent | isocoumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
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| Substituents | aryl fluoridemonocyclic benzene moietyetherorganofluoridetertiary aliphatic amineorganohalogen compounddialkyl etheraryl halideoxacyclefluorobenzeneisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneaminetertiary amineorganooxygen compound |
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