| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:27 UTC |
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| Update Date | 2025-03-21 18:38:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123367 |
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| Frequency | 47.8 |
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| Structure | |
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| Chemical Formula | C12H15N5O7 |
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| Molecular Mass | 341.0971 |
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| SMILES | O=C(O)CNc1nc2c(ncn2C2OC(CO)C(O)C2O)c(=O)[nH]1 |
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| InChI Key | YSAOPASVXKYEFD-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 | alpha amino acidsamino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshypoxanthinesimidazoleslactamsmonocarboxylic acids and derivativesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurines and purine derivativespyrimidonessecondary alcoholssecondary alkylarylaminestetrahydrofuransvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidmonosaccharidepyrimidonealpha-amino acid or derivativesimidazopyrimidinecarboxylic acid derivativepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholvinylogous amideazacycletetrahydrofuranpurine nucleosideheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhypoxanthinehydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundamine |
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