| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:07 UTC |
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| Update Date | 2025-03-25 00:49:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171865 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N5O6 |
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| Molecular Mass | 327.1179 |
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| SMILES | CN(C)CC1OC(n2c(=O)nc(O)c3nc(O)[nH]c32)C(O)C1O |
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| InChI Key | SVLXFDIUGUBKPX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | xanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundspurinonespyrimidonessecondary alcoholstetrahydrofuranstrialkylamines |
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| Substituents | monosaccharidepyrimidonehydroxypyrimidinepurinonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundtertiary amineazole1,2-diolalcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundtertiary aliphatic aminexanthineoxacyclealkaloid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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