| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:01 UTC |
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| Update Date | 2025-03-25 00:45:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02148801 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H22N8O2 |
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| Molecular Mass | 370.1866 |
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| SMILES | NCCCCNC(=O)c1ccc(NCc2nc3c(=O)nc(N)[nH]c3[nH]2)cc1 |
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| InChI Key | BXQHYSYBPZULFT-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 | amino acids and derivativesazacyclic compoundsbenzamidesbenzoyl derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenylalkylaminespurines and purine derivativespyrimidonessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietyamino acid or derivativesbenzoylpyrimidonecarboxylic acid derivativebenzamidepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolevinylogous amideazacycleheteroaromatic compoundbenzoic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundphenylalkylaminehypoxanthinehydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundamineorganooxygen compound |
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