| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:38 UTC |
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| Update Date | 2025-03-25 00:59:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239240 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H27FN6O5 |
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| Molecular Mass | 546.2027 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)c1ccc(F)cc1 |
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| InChI Key | JUMXITOKQDIRNU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | purine nucleosides |
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| Subclass | purine nucleosides |
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| Direct Parent | purine nucleosides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl fluoridesazacyclic compoundsdialkyl ethersfluorobenzenesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsisocoumaransmonosaccharidesn-substituted imidazolesnitrilesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphenylbutylaminesprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary alkylarylaminestetrahydrofurans |
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| Substituents | aryl fluoridemonocyclic benzene moietyethernitrilemonosaccharideimidazopyrimidineorganohalogen compounddialkyl etherpyrimidinefluorobenzenesaccharidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamcarbonitrileorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranorganofluoridepurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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