| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:22 UTC |
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| Update Date | 2025-03-25 00:51:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186166 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H19N5O6 |
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| Molecular Mass | 413.1335 |
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| SMILES | O=C(CC(=O)c1ccccc1)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O |
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| InChI Key | QLEXBSONEAQEQE-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 | alkyl-phenylketonesaryl alkyl ketonesazacyclic compoundsbenzoyl derivativescarboxylic acids and derivativesfatty amidesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsmonosaccharidesn-arylamidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidines and pyrimidine derivativessecondary alcoholssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl grouparyl alkyl ketonefatty amidebenzoylmonosacchariden-arylamideimidazopyrimidinecarboxylic acid derivativepyrimidineketonesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholimidolactamorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundcarboxamide groupphenylketoneoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidpurineorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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