| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:31:09 UTC |
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| Update Date | 2025-03-21 18:41:54 UTC |
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| HMDB ID | HMDB0247251 |
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| Metabolite Identification |
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| DeepMet ID | DMID00136684 |
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| Name | 7-Ethyltheophylline |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C9H12N4O2 |
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| Molecular Mass | 208.096 |
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| SMILES | CCn1cnc2c1c(=O)n(C)c(=O)n2C |
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| InChI Key | RPOQNHMXOPWCEK-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 | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesureasvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidonepurinonepyrimidineureaorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolen-substituted imidazole |
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