| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:19 UTC |
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| Update Date | 2025-03-25 00:50:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183775 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H22ClFN4O3 |
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| Molecular Mass | 468.1364 |
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| SMILES | OC(Cn1ccnc1)(c1ccc(F)cc1)C1COC(Cn2ccnc2)(c2ccc(Cl)cc2)O1 |
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| InChI Key | FMLAKGYQNYZJFH-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 | halobenzenes |
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| Direct Parent | fluorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesaromatic alcoholsaryl chloridesaryl fluoridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesketalsn-substituted imidazolesorganochloridesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstertiary alcohols |
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| Substituents | aryl fluoridearomatic alcoholmeta-dioxolanearomatic heteromonocyclic compoundorganochlorideorganohalogen compoundfluorobenzeneacetalimidazoleketalorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazolen-substituted imidazolearyl chloridechlorobenzenealcoholazacycleorganofluorideheteroaromatic compoundaryl halideoxacycletertiary alcoholorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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