| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:26:19 UTC |
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| Update Date | 2025-03-21 18:39:23 UTC |
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| HMDB ID | HMDB0252111 |
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| Metabolite Identification |
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| DeepMet ID | DMID00125399 |
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| Name | Etofylline |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C9H12N4O3 |
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| Molecular Mass | 224.0909 |
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| SMILES | Cn1c(=O)c2c(ncn2CCO)n(C)c1=O |
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| InChI Key | NWPRCRWQMGIBOT-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 | purinones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alcohols and polyolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesureasvinylogous amides |
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| Substituents | lactampyrimidonepurinonepyrimidineureaorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolen-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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