| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:25 UTC |
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| Update Date | 2025-03-25 00:50:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179475 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H18FNO2 |
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| Molecular Mass | 323.1322 |
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| SMILES | COc1ccc2nccc(C3(c4ccc(F)cc4)CCCO3)c2c1 |
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| InChI Key | BWEGCMPFPLVTKD-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 | quinolines and derivatives |
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| Subclass | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesalkyl aryl ethersanisolesaryl fluoridesazacyclic compoundsdialkyl ethersfluorobenzenesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinestetrahydrofurans |
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| Substituents | aryl fluoridephenol ethermonocyclic benzene moietyetherpolyhalopyridinealkyl aryl etherorganohalogen compounddialkyl etherfluorobenzenearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineazacycletetrahydrofuranorganofluorideheteroaromatic compoundmethylpyridinearyl halideoxacyclepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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