| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:58 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240006 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14Cl2FNO |
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| Molecular Mass | 325.0436 |
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| SMILES | NCCC1(c2ccc(F)cc2)OCc2cc(Cl)c(Cl)cc21 |
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| InChI Key | TWKTYGDRHUBQEC-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 chloridesaryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesmonoalkylaminesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl fluoridearyl chloridemonocyclic benzene moietyetherorganofluorideorganochlorideorganohalogen compounddialkyl etheraryl halideoxacyclefluorobenzeneisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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