| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:47 UTC |
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| Update Date | 2025-03-21 18:01:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030810 |
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| Frequency | 125.3 |
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| Structure | |
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| Chemical Formula | C11H14N4O7 |
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| Molecular Mass | 314.0862 |
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| SMILES | COC1C(O)C(CO)OC1n1c(=O)nc(O)c2nc(O)[nH]c21 |
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| InChI Key | SJBVAMOYJGYUQX-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 compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesimidazolesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholspurinonespyrimidonessecondary alcoholstetrahydrofurans |
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| Substituents | ethermonosaccharidepyrimidonehydroxypyrimidinedialkyl etherpurinonepyrimidinesaccharideorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholazolealcoholcarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundxanthineoxacyclealkaloid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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