| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:57 UTC |
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| Update Date | 2025-03-25 00:50:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178429 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21F2NO |
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| Molecular Mass | 317.1591 |
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| SMILES | CNCCCCC1(c2ccc(F)cc2)OCc2cc(F)ccc21 |
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| InChI Key | FMQFPVJXMKJCCC-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 ethersdialkylaminesfluorobenzeneshydrocarbon derivativesorganofluoridesorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridesecondary aliphatic aminemonocyclic benzene moietyetherorganofluoridesecondary amineorganohalogen compounddialkyl etheraryl halideoxacyclefluorobenzeneisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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