| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:10 UTC |
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| Update Date | 2025-03-25 00:45:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151506 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5ClN4O |
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| Molecular Mass | 184.0152 |
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| SMILES | Cn1c(=O)nc(Cl)c2[nH]cnc21 |
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| InChI Key | QQTISWCPUOBDLW-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 | aryl chloridesazacyclic compoundshalopyrimidinesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidones |
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| Substituents | organochloridepyrimidoneorganohalogen compoundpurinonepyrimidineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundazolearyl chloridecarbonic acid derivativeazacycleheteroaromatic compoundhalopyrimidinearyl halideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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