| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:20 UTC |
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| Update Date | 2025-03-21 18:31:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084552 |
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| Frequency | 43.2 |
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| Structure | |
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| Chemical Formula | C10H11N5O7 |
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| Molecular Mass | 313.0658 |
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| SMILES | Nc1nc2c([nH]c(=O)n2C2OC(C(=O)O)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | ADBSBWHLPCPPDV-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-diolsamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary aminespyrimidonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidmonosaccharidepyrimidoneimidazopyrimidinecarboxylic acid derivativepurinonepyrimidinebeta-hydroxy acidsaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativepurineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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