| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:31 UTC |
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| Update Date | 2025-03-25 01:00:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241291 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H25N7O5 |
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| Molecular Mass | 467.1917 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)cc12 |
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| InChI Key | RUJLQNQMWBBFTM-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 | 1,2-diolsacetamidesalkyl aryl ethersamino acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsindolesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenol ethersprimary aminespurines and purine derivativespyrimidines and pyrimidine derivativespyrrolessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | phenol ethercarbonyl groupetheramino acid or derivativesindolemonosaccharideimidazopyrimidinealkyl aryl ethercarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundacetamideazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundindole or derivativescarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidprimary aminepurineorganic nitrogen compoundamineorganooxygen compound |
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