| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:04 UTC |
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| Update Date | 2025-03-21 18:02:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038699 |
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| Frequency | 90.3 |
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| Structure | |
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| Chemical Formula | C11H14N4O8 |
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| Molecular Mass | 330.0812 |
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| SMILES | O=c1nc(O)c2nc(O)[nH]c2n1C1OC(CO)C(O)C(O)C1O |
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| InChI Key | JWMLULCNERHASJ-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 | alkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholspurinonespyrimidonessecondary alcohols |
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| Substituents | monosaccharidepyrimidonehydroxypyrimidinepurinonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundoxaneprimary alcoholazolealcoholcarbonic acid derivativeazacycleheteroaromatic compoundxanthineoxacyclealkaloid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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