| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:14 UTC |
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| Update Date | 2025-03-25 00:57:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224942 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11N5O3 |
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| Molecular Mass | 237.0862 |
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| SMILES | Nc1nc2c(ncn2C2COC2CO)c(=O)[nH]1 |
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| InChI Key | PQWVDUHXWQWTCI-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 | hypoxanthines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl ethersheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxetanesprimary alcoholsprimary aminespurines and purine derivativespyrimidonesvinylogous amides |
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| Substituents | etherlactampyrimidonedialkyl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholazolen-substituted imidazolealcoholvinylogous amideazacycleheteroaromatic compoundoxacycleorganic oxygen compoundoxetanehypoxanthinehydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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