| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:43 UTC |
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| Update Date | 2025-03-25 00:46:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157395 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H7ClN2O2 |
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| Molecular Mass | 162.0196 |
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| SMILES | O=C1NCC(CCl)C(=O)N1 |
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| InChI Key | DUQMOEIKKZPCOI-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 | diazines |
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| Subclass | pyrimidines and pyrimidine derivatives |
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| Direct Parent | pyrimidones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | alkyl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdiazinanesdicarboximideshydrocarbon derivativesn-acyl ureasorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | n-acyl ureacarbonyl groupcarbonic acid derivativeazacyclealkyl chlorideorganochloridepyrimidonecarboxylic acid derivativeorganohalogen compound1,3-diazinaneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativedicarboximideorganic nitrogen compoundureideorganooxygen compound |
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